CID 759256

N-formyl-l-phenylalanine

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC=O
InChI
InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1
InChIKey
NSTPXGARCQOSAU-VIFPVBQESA-N
Compound name
(2S)-2-formamido-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5467
Patents

193.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 141.7
[M+Na]+ 216.06312 151.6
[M+NH4]+ 211.10772 148.4
[M+K]+ 232.03706 147.0
[M-H]- 192.06662 142.3
[M+Na-2H]- 214.04857 146.9
[M]+ 193.07335 142.9
[M]- 193.07445 142.9
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