CID 793024

78944-67-9

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC(=O)N(C)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)
InChIKey
VCOQVAJFXPHUAM-UHFFFAOYSA-N
Compound name
2-[acetyl(methyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

5
Patents

193.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 139.8
[M+Na]+ 216.06312 146.6
[M-H]- 192.06662 143.8
[M+NH4]+ 211.10772 158.8
[M+K]+ 232.03706 146.3
[M+H-H2O]+ 176.07116 133.7
[M+HCOO]- 238.07210 163.1
[M+CH3COO]- 252.08775 186.7
[M+Na-2H]- 214.04857 143.4
[M]+ 193.07335 140.6
[M]- 193.07445 140.6
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