CID 4239448

2-{[(4-methylphenyl)carbamoyl]amino}propanoic acid

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC1=CC=C(C=C1)NC(=O)NC(C)C(=O)O
InChI
InChI=1S/C11H14N2O3/c1-7-3-5-9(6-4-7)13-11(16)12-8(2)10(14)15/h3-6,8H,1-2H3,(H,14,15)(H2,12,13,16)
InChIKey
VNMHKGDEXLJPNL-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)carbamoylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

222.10045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.7
[M+Na]+ 245.08967 154.8
[M-H]- 221.09317 152.0
[M+NH4]+ 240.13427 166.5
[M+K]+ 261.06361 153.4
[M+H-H2O]+ 205.09771 143.1
[M+HCOO]- 267.09865 172.2
[M+CH3COO]- 281.11430 191.8
[M+Na-2H]- 243.07512 152.4
[M]+ 222.09990 148.1
[M]- 222.10100 148.1
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

patents stripe