CID 3835305

2-[(3-methylphenyl)formamido]propanoic acid

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC1=CC(=CC=C1)C(=O)NC(C)C(=O)O
InChI
InChI=1S/C11H13NO3/c1-7-4-3-5-9(6-7)10(13)12-8(2)11(14)15/h3-6,8H,1-2H3,(H,12,13)(H,14,15)
InChIKey
KPDBSQWRBLPDJF-UHFFFAOYSA-N
Compound name
2-[(3-methylbenzoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.9
[M+Na]+ 230.07876 155.7
[M+NH4]+ 225.12336 152.3
[M+K]+ 246.05270 151.9
[M-H]- 206.08226 146.3
[M+Na-2H]- 228.06421 150.3
[M]+ 207.08899 147.0
[M]- 207.09009 147.0
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.