CID 117564

Methyl 2-[(1-oxopropyl)amino]benzoate

Structural Information

Molecular Formula
C11H13NO3
SMILES
CCC(=O)NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C11H13NO3/c1-3-10(13)12-9-7-5-4-6-8(9)11(14)15-2/h4-7H,3H2,1-2H3,(H,12,13)
InChIKey
VGXVLVNJSSONHX-UHFFFAOYSA-N
Compound name
methyl 2-(propanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

207.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.7
[M+Na]+ 230.07876 151.4
[M-H]- 206.08226 148.5
[M+NH4]+ 225.12336 163.4
[M+K]+ 246.05270 150.4
[M+H-H2O]+ 190.08680 138.4
[M+HCOO]- 252.08774 168.8
[M+CH3COO]- 266.10339 188.1
[M+Na-2H]- 228.06421 149.0
[M]+ 207.08899 146.5
[M]- 207.09009 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe