CID 16227635

923233-37-8

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC1=CC=C(C=C1)CNC(=O)NCC(=O)O
InChI
InChI=1S/C11H14N2O3/c1-8-2-4-9(5-3-8)6-12-11(16)13-7-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKey
DVIGRUODSYLGBK-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)methylcarbamoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.3
[M+Na]+ 245.08967 154.5
[M-H]- 221.09317 151.5
[M+NH4]+ 240.13427 166.1
[M+K]+ 261.06361 152.6
[M+H-H2O]+ 205.09771 142.5
[M+HCOO]- 267.09865 172.7
[M+CH3COO]- 281.11430 190.8
[M+Na-2H]- 243.07512 153.2
[M]+ 222.09990 148.3
[M]- 222.10100 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.