CID 8167081

4-amino-2-methylbenzonitrile

Structural Information

Molecular Formula
C8H8N2
SMILES
CC1=C(C=CC(=C1)N)C#N
InChI
InChI=1S/C8H8N2/c1-6-4-8(10)3-2-7(6)5-9/h2-4H,10H2,1H3
InChIKey
RGHJWZADAWEIFE-UHFFFAOYSA-N
Compound name
4-amino-2-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

330
Patents

132.06874 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 128.5
[M+Na]+ 155.05796 139.2
[M-H]- 131.06146 132.0
[M+NH4]+ 150.10256 148.2
[M+K]+ 171.03190 136.4
[M+H-H2O]+ 115.06600 116.8
[M+HCOO]- 177.06694 150.0
[M+CH3COO]- 191.08259 188.7
[M+Na-2H]- 153.04341 134.5
[M]+ 132.06819 122.1
[M]- 132.06929 122.1
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