CID 235527

4-amino-n,n-dimethylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

634
Patents

164.09496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 134.9
[M+Na]+ 187.08418 141.8
[M-H]- 163.08768 139.9
[M+NH4]+ 182.12878 155.5
[M+K]+ 203.05812 141.3
[M+H-H2O]+ 147.09222 128.6
[M+HCOO]- 209.09316 160.9
[M+CH3COO]- 223.10881 186.3
[M+Na-2H]- 185.06963 139.9
[M]+ 164.09441 134.0
[M]- 164.09551 134.0
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