CID 257223

N-benzoyl-2-methylalanine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

207.08954 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.9
[M+Na]+ 230.07876 150.5
[M-H]- 206.08226 147.1
[M+NH4]+ 225.12336 162.5
[M+K]+ 246.05270 149.0
[M+H-H2O]+ 190.08680 139.2
[M+HCOO]- 252.08774 165.8
[M+CH3COO]- 266.10339 185.3
[M+Na-2H]- 228.06421 150.1
[M]+ 207.08899 143.9
[M]- 207.09009 143.9
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.