CID 278944

4-amino-3,5-dimethylbenzonitrile

Structural Information

Molecular Formula
C9H10N2
SMILES
CC1=CC(=CC(=C1N)C)C#N
InChI
InChI=1S/C9H10N2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4H,11H2,1-2H3
InChIKey
HRWCKMHTQMYUSL-UHFFFAOYSA-N
Compound name
4-amino-3,5-dimethylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

146.0844 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 132.1
[M+Na]+ 169.07362 143.3
[M-H]- 145.07712 135.9
[M+NH4]+ 164.11822 151.7
[M+K]+ 185.04756 140.4
[M+H-H2O]+ 129.08166 120.6
[M+HCOO]- 191.08260 153.3
[M+CH3COO]- 205.09825 192.5
[M+Na-2H]- 167.05907 137.0
[M]+ 146.08385 126.4
[M]- 146.08495 126.4
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