CID 55290114

5-amino-2,4-dimethylbenzonitrile

Structural Information

Molecular Formula
C9H10N2
SMILES
CC1=CC(=C(C=C1C#N)N)C
InChI
InChI=1S/C9H10N2/c1-6-3-7(2)9(11)4-8(6)5-10/h3-4H,11H2,1-2H3
InChIKey
HZFCDUZHYMJUMQ-UHFFFAOYSA-N
Compound name
5-amino-2,4-dimethylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 131.6
[M+Na]+ 169.07362 144.1
[M+NH4]+ 164.11822 137.2
[M+K]+ 185.04756 134.7
[M-H]- 145.07712 127.5
[M+Na-2H]- 167.05907 136.1
[M]+ 146.08385 131.4
[M]- 146.08495 131.4
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