CID 17623

Methyl 2-acetamidobenzoate

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC(=O)NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
InChIKey
UYQKZKVNYKOXHG-UHFFFAOYSA-N
Compound name
methyl 2-acetamidobenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

315
Patents

193.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 141.1
[M+Na]+ 216.06312 152.0
[M+NH4]+ 211.10772 148.2
[M+K]+ 232.03706 147.3
[M-H]- 192.06662 142.3
[M+Na-2H]- 214.04857 146.7
[M]+ 193.07335 142.7
[M]- 193.07445 142.7
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