CID 71002

N-benzoyl-dl-alanine

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC(C(=O)O)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)
InChIKey
UAQVHNZEONHPQG-UHFFFAOYSA-N
Compound name
2-benzamidopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

67
References

788
Patents

193.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 141.9
[M+Na]+ 216.06312 151.4
[M+NH4]+ 211.10772 148.4
[M+K]+ 232.03706 147.6
[M-H]- 192.06662 142.2
[M+Na-2H]- 214.04857 146.7
[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

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