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
2
Annotation Hits

4
References

7507
Patents

339.14706 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 179.7
[M+Na]+ 362.13628 188.8
[M+NH4]+ 357.18088 186.1
[M+K]+ 378.11022 185.8
[M-H]- 338.13978 180.6
[M+Na-2H]- 360.12173 181.9
[M]+ 339.14651 180.8
[M]- 339.14761 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe