CID 596365

4-(dimethylamino)benzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

550
Patents

164.09496 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.7
[M+Na]+ 187.084178 141.5
[M-H]- 163.087684 139.6
[M+NH4]+ 182.128783 155.2
[M+K]+ 203.058118 141.0
[M+H-H2O]+ 147.092220 128.3
[M+HCOO]- 209.093161 160.6
[M+CH3COO]- 223.108811 187.0
[M+Na-2H]- 185.069626 139.7
[M]+ 164.09441142 133.8
[M]- 164.09550858 133.8
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