CID 2735365

5-amino-2-methylbenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

383
Patents

132.06874 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 128.7
[M+Na]+ 155.05796 141.0
[M+NH4]+ 150.10256 134.3
[M+K]+ 171.03190 131.6
[M-H]- 131.06146 124.5
[M+Na-2H]- 153.04341 133.5
[M]+ 132.06819 128.4
[M]- 132.06929 128.4
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