CID 13590399

3-cyano-n,n-dimethylbenzamide

Structural Information

Molecular Formula
C10H10N2O
SMILES
CN(C)C(=O)C1=CC=CC(=C1)C#N
InChI
InChI=1S/C10H10N2O/c1-12(2)10(13)9-5-3-4-8(6-9)7-11/h3-6H,1-2H3
InChIKey
CQUOVARNSKZJGM-UHFFFAOYSA-N
Compound name
3-cyano-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

174.07932 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 139.9
[M+Na]+ 197.06854 149.2
[M-H]- 173.07204 144.5
[M+NH4]+ 192.11314 158.4
[M+K]+ 213.04248 147.6
[M+H-H2O]+ 157.07658 127.2
[M+HCOO]- 219.07752 161.2
[M+CH3COO]- 233.09317 198.1
[M+Na-2H]- 195.05399 144.5
[M]+ 174.07877 135.7
[M]- 174.07987 135.7
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