CID 97053

39608-31-6

Structural Information

Molecular Formula
C11H13NO4
SMILES
CN(CC(=O)O)C(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C11H13NO4/c1-12(7-10(13)14)11(15)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey
CBWFTZNMONHKNZ-UHFFFAOYSA-N
Compound name
2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

654
Patents

223.08446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 148.3
[M+Na]+ 246.07368 153.7
[M-H]- 222.07718 151.7
[M+NH4]+ 241.11828 165.8
[M+K]+ 262.04762 153.7
[M+H-H2O]+ 206.08172 141.5
[M+HCOO]- 268.08266 171.6
[M+CH3COO]- 282.09831 189.9
[M+Na-2H]- 244.05913 152.1
[M]+ 223.08391 150.5
[M]- 223.08501 150.5
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