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

67
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 144.6
[M+Na]+ 224.11582 151.8
[M-H]- 200.11932 145.1
[M+NH4]+ 219.16042 158.1
[M+K]+ 240.08976 146.2
[M+H-H2O]+ 184.12386 129.6
[M+HCOO]- 246.12480 158.0
[M+CH3COO]- 260.14045 153.7
[M+Na-2H]- 222.10127 149.3
[M]+ 201.12605 133.6
[M]- 201.12715 133.6
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