CID 688217

Fmoc-l-valine

Structural Information

Molecular Formula
C20H21NO4
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKey
UGNIYGNGCNXHTR-SFHVURJKSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

7625
Patents

339.14706 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.154336 180.9
[M+Na]+ 362.136278 185.4
[M-H]- 338.139784 184.5
[M+NH4]+ 357.180883 196.8
[M+K]+ 378.110218 182.4
[M+H-H2O]+ 322.144320 174.2
[M+HCOO]- 384.145261 198.6
[M+CH3COO]- 398.160911 213.1
[M+Na-2H]- 360.121726 181.0
[M]+ 339.14651142 182.7
[M]- 339.14760858 182.7
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.