CID 10466151

167417-03-0

Structural Information

Molecular Formula
C11H13NO4
SMILES
C[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1OC
InChI
InChI=1S/C11H13NO4/c1-7(11(14)15)12-10(13)8-5-3-4-6-9(8)16-2/h3-7H,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKey
FAEYXAMDOMXIJF-ZETCQYMHSA-N
Compound name
(2S)-2-[(2-methoxybenzoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

223.08446 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 148.0
[M+Na]+ 246.07368 153.7
[M-H]- 222.07718 150.3
[M+NH4]+ 241.11828 164.9
[M+K]+ 262.04762 152.9
[M+H-H2O]+ 206.08172 141.6
[M+HCOO]- 268.08266 169.7
[M+CH3COO]- 282.09831 189.4
[M+Na-2H]- 244.05913 150.5
[M]+ 223.08391 148.7
[M]- 223.08501 148.7
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