CID 3016421

3-(benzoylamino)-2-methylpropionic acid

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(CNC(=O)C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C11H13NO3/c1-8(11(14)15)7-12-10(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)
InChIKey
CCEBPEVKSYSXIR-UHFFFAOYSA-N
Compound name
3-benzamido-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

207.08954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.9
[M+Na]+ 230.07876 150.9
[M-H]- 206.08226 147.9
[M+NH4]+ 225.12336 163.3
[M+K]+ 246.05270 149.4
[M+H-H2O]+ 190.08680 139.6
[M+HCOO]- 252.08774 167.4
[M+CH3COO]- 266.10339 186.0
[M+Na-2H]- 228.06421 149.1
[M]+ 207.08899 144.8
[M]- 207.09009 144.8
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