CID 25132569

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

Structural Information

Molecular Formula
C25H29NO6
SMILES
C[C@@](CCC(=O)OC(C)(C)C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H29NO6/c1-24(2,3)32-21(27)13-14-25(4,22(28)29)26-23(30)31-15-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20H,13-15H2,1-4H3,(H,26,30)(H,28,29)/t25-/m1/s1
InChIKey
VQJPOKXHUZJEJQ-RUZDIDTESA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.20678 207.1
[M+Na]+ 462.18872 210.2
[M-H]- 438.19222 210.2
[M+NH4]+ 457.23332 218.9
[M+K]+ 478.16266 208.1
[M+H-H2O]+ 422.19676 200.8
[M+HCOO]- 484.19770 221.3
[M+CH3COO]- 498.21335 230.0
[M+Na-2H]- 460.17417 209.2
[M]+ 439.19895 212.3
[M]- 439.20005 212.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.