PubChemLite - Fmoc-n-me-glu(otbu)-oh (C25H29NO6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C25H29NO6/c1-25(2,3)32-22(27)14-13-21(23(28)29)26(4)24(30)31-15-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20-21H,13-15H2,1-4H3,(H,28,29)/t21-/m0/s1

InChIKey

FVUASVBQADLDRO-NRFANRHFSA-N

Compound name

(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	440.20678	207.2
[M+Na]+	462.18872	209.9
[M-H]-	438.19222	211.5
[M+NH4]+	457.23332	219.5
[M+K]+	478.16266	209.0
[M+H-H2O]+	422.19676	200.4
[M+HCOO]-	484.19770	222.6
[M+CH3COO]-	498.21335	233.5
[M+Na-2H]-	460.17417	206.0
[M]+	439.19895	213.5
[M]-	439.20005	213.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.20678

207.2

[M+Na]+

462.18872

209.9

[M-H]-

438.19222

211.5

[M+NH4]+

457.23332

219.5

[M+K]+

478.16266

209.0

[M+H-H2O]+

422.19676

200.4

[M+HCOO]-

484.19770

222.6

[M+CH3COO]-

498.21335

233.5

[M+Na-2H]-

460.17417

206.0

[M]+

439.19895

213.5

[M]-

439.20005

213.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fmoc-n-me-glu(otbu)-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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