CID 16227348

3-[(benzylcarbamoyl)amino]propanoic acid

Structural Information

Molecular Formula
C11H14N2O3
SMILES
C1=CC=C(C=C1)CNC(=O)NCCC(=O)O
InChI
InChI=1S/C11H14N2O3/c14-10(15)6-7-12-11(16)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)(H2,12,13,16)
InChIKey
ZKXWPAGHEVGPNO-UHFFFAOYSA-N
Compound name
3-(benzylcarbamoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

222.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.3
[M+Na]+ 245.08967 153.6
[M-H]- 221.09317 151.1
[M+NH4]+ 240.13427 165.8
[M+K]+ 261.06361 151.6
[M+H-H2O]+ 205.09771 142.3
[M+HCOO]- 267.09865 172.8
[M+CH3COO]- 281.11430 189.6
[M+Na-2H]- 243.07512 154.0
[M]+ 222.09990 147.9
[M]- 222.10100 147.9
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