CID 2060892

1-(4-cyanobenzyl)piperazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

74
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

literature stripe

Patent stripe

patents stripe