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
6
Annotation Hits

2
References

377
Patents

193.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 140.0
[M+Na]+ 216.063118 147.1
[M-H]- 192.066624 144.0
[M+NH4]+ 211.107723 159.2
[M+K]+ 232.037058 146.3
[M+H-H2O]+ 176.071160 133.9
[M+HCOO]- 238.072101 164.4
[M+CH3COO]- 252.087751 185.1
[M+Na-2H]- 214.048566 144.8
[M]+ 193.07335142 141.4
[M]- 193.07444858 141.4
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