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

397
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 128.5
[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

No literature data available for this compound.

Patent stripe

patents stripe