CID 43082764

4-[(2-cyanoethyl)amino]benzonitrile

Structural Information

Molecular Formula
C10H9N3
SMILES
C1=CC(=CC=C1C#N)NCCC#N
InChI
InChI=1S/C10H9N3/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5,13H,1,7H2
InChIKey
RZBNTVICQQJVQH-UHFFFAOYSA-N
Compound name
4-(2-cyanoethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.07965 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.08693 167.7
[M+Na]+ 194.06887 176.2
[M+NH4]+ 189.11347 168.7
[M+K]+ 210.04281 165.0
[M-H]- 170.07237 158.5
[M+Na-2H]- 192.05432 167.5
[M]+ 171.07910 165.0
[M]- 171.08020 165.0
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

No patent data available for this compound.