CID 16770689

2-amino-n,3-dimethylbenzamide

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=C(C(=CC=C1)C(=O)NC)N
InChI
InChI=1S/C9H12N2O/c1-6-4-3-5-7(8(6)10)9(12)11-2/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey
FBOWFVWOCBTBPH-UHFFFAOYSA-N
Compound name
2-amino-N,3-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

164.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.7
[M+Na]+ 187.084178 142.4
[M-H]- 163.087684 138.6
[M+NH4]+ 182.128783 155.0
[M+K]+ 203.058118 140.5
[M+H-H2O]+ 147.092220 128.8
[M+HCOO]- 209.093161 160.1
[M+CH3COO]- 223.108811 184.1
[M+Na-2H]- 185.069626 139.7
[M]+ 164.09441142 132.9
[M]- 164.09550858 132.9
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