CID 3453879

3-(dimethylamino)benzonitrile

Structural Information

Molecular Formula
C9H10N2
SMILES
CN(C)C1=CC=CC(=C1)C#N
InChI
InChI=1S/C9H10N2/c1-11(2)9-5-3-4-8(6-9)7-10/h3-6H,1-2H3
InChIKey
FEOIEIQLXALHPJ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

75
Patents

146.0844 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 131.8
[M+Na]+ 169.07362 141.5
[M-H]- 145.07712 136.5
[M+NH4]+ 164.11822 151.5
[M+K]+ 185.04756 139.8
[M+H-H2O]+ 129.08166 119.4
[M+HCOO]- 191.08260 154.0
[M+CH3COO]- 205.09825 194.3
[M+Na-2H]- 167.05907 138.3
[M]+ 146.08385 127.4
[M]- 146.08495 127.4
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