CID 2757948

1-(3-cyanobenzyl)piperazine

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CN(CCN1)CC2=CC(=CC=C2)C#N
InChI
InChI=1S/C12H15N3/c13-9-11-2-1-3-12(8-11)10-15-6-4-14-5-7-15/h1-3,8,14H,4-7,10H2
InChIKey
XDYXEYUQBGLAOZ-UHFFFAOYSA-N
Compound name
3-(piperazin-1-ylmethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

201.1266 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 151.5
[M+Na]+ 224.11582 163.5
[M+NH4]+ 219.16042 156.3
[M+K]+ 240.08976 153.0
[M-H]- 200.11932 147.1
[M+Na-2H]- 222.10127 155.9
[M]+ 201.12605 151.1
[M]- 201.12715 151.1
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