PubChemLite - Fmoc-val-ala-oh (C23H26N2O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-13(2)20(21(26)24-14(3)22(27)28)25-23(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,13-14,19-20H,12H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)/t14-,20-/m0/s1

InChIKey

KQZMZNLKVKGMJS-XOBRGWDASA-N

Compound name

(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]propanoic 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]+	411.19145	198.8
[M+Na]+	433.17339	200.4
[M-H]-	409.17689	201.8
[M+NH4]+	428.21799	210.9
[M+K]+	449.14733	198.7
[M+H-H2O]+	393.18143	191.7
[M+HCOO]-	455.18237	214.8
[M+CH3COO]-	469.19802	230.0
[M+Na-2H]-	431.15884	196.1
[M]+	410.18362	200.4
[M]-	410.18472	200.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.19145

198.8

[M+Na]+

433.17339

200.4

[M-H]-

409.17689

201.8

[M+NH4]+

428.21799

210.9

[M+K]+

449.14733

198.7

[M+H-H2O]+

393.18143

191.7

[M+HCOO]-

455.18237

214.8

[M+CH3COO]-

469.19802

230.0

[M+Na-2H]-

431.15884

196.1

[M]+

410.18362

200.4

[M]-

410.18472

200.4

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

Fmoc-val-ala-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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