CID 16227672

3-{[(4-methoxyphenyl)carbamoyl]amino}propanoic acid

Structural Information

Molecular Formula
C11H14N2O4
SMILES
COC1=CC=C(C=C1)NC(=O)NCCC(=O)O
InChI
InChI=1S/C11H14N2O4/c1-17-9-4-2-8(3-5-9)13-11(16)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKey
VAFJIQCKUUZDPT-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)carbamoylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 151.7
[M+Na]+ 261.084568 156.8
[M-H]- 237.088074 153.8
[M+NH4]+ 256.129173 167.8
[M+K]+ 277.058508 155.5
[M+H-H2O]+ 221.092610 144.6
[M+HCOO]- 283.093551 175.4
[M+CH3COO]- 297.109201 193.0
[M+Na-2H]- 259.070016 155.8
[M]+ 238.09480142 152.1
[M]- 238.09589858 152.1
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

No patent data available for this compound.