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]+ 239.10263 151.7
[M+Na]+ 261.08457 156.8
[M-H]- 237.08807 153.8
[M+NH4]+ 256.12917 167.8
[M+K]+ 277.05851 155.5
[M+H-H2O]+ 221.09261 144.6
[M+HCOO]- 283.09355 175.4
[M+CH3COO]- 297.10920 193.0
[M+Na-2H]- 259.07002 155.8
[M]+ 238.09480 152.1
[M]- 238.09590 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.