CID 12607973

3-amino-n,4-dimethylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

164.09496 Da
Monoisotopic Mass

0.1
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

No literature data available for this compound.

Patent stripe

patents stripe