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]+ 223.107726 149.3
[M+Na]+ 245.089668 154.5
[M-H]- 221.093174 151.5
[M+NH4]+ 240.134273 166.1
[M+K]+ 261.063608 152.6
[M+H-H2O]+ 205.097710 142.5
[M+HCOO]- 267.098651 172.7
[M+CH3COO]- 281.114301 190.8
[M+Na-2H]- 243.075116 153.2
[M]+ 222.09990142 148.3
[M]- 222.10099858 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.