CID 10964551

4-(methylamino)benzonitrile

Structural Information

Molecular Formula
C8H8N2
SMILES
CNC1=CC=C(C=C1)C#N
InChI
InChI=1S/C8H8N2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
InChIKey
JEDXDYXIRZOEKG-UHFFFAOYSA-N
Compound name
4-(methylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

602
Patents

132.06874 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 127.8
[M+Na]+ 155.05796 137.8
[M-H]- 131.06146 131.4
[M+NH4]+ 150.10256 147.5
[M+K]+ 171.03190 135.1
[M+H-H2O]+ 115.06600 115.9
[M+HCOO]- 177.06694 149.9
[M+CH3COO]- 191.08259 188.3
[M+Na-2H]- 153.04341 135.5
[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

literature stripe

Patent stripe

patents stripe