CID 12469761

342626-46-4

Structural Information

Molecular Formula
C11H14N2O3
SMILES
COC(=O)CCNC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C11H14N2O3/c1-16-10(14)6-7-13-11(15)8-2-4-9(12)5-3-8/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKey
AGYOUYKNKGJRHR-UHFFFAOYSA-N
Compound name
methyl 3-[(4-aminobenzoyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

222.10045 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 149.4
[M+Na]+ 245.089668 155.1
[M-H]- 221.093174 152.5
[M+NH4]+ 240.134273 166.7
[M+K]+ 261.063608 153.7
[M+H-H2O]+ 205.097710 142.4
[M+HCOO]- 267.098651 173.7
[M+CH3COO]- 281.114301 192.6
[M+Na-2H]- 243.075116 152.8
[M]+ 222.09990142 149.3
[M]- 222.10099858 149.3
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

patents stripe