CID 22341739

2-(aminomethyl)benzonitrile

Structural Information

Molecular Formula
C8H8N2
SMILES
C1=CC=C(C(=C1)CN)C#N
InChI
InChI=1S/C8H8N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5,9H2
InChIKey
IQKCOMKWSLYAHJ-UHFFFAOYSA-N
Compound name
2-(aminomethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

294
Patents

132.06874 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 128.7
[M+Na]+ 155.05796 138.7
[M-H]- 131.06146 131.8
[M+NH4]+ 150.10256 148.1
[M+K]+ 171.03190 135.6
[M+H-H2O]+ 115.06600 116.8
[M+HCOO]- 177.06694 150.2
[M+CH3COO]- 191.08259 187.7
[M+Na-2H]- 153.04341 135.3
[M]+ 132.06819 122.0
[M]- 132.06929 122.0
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