CID 75994

1-benzylpiperazine

Structural Information

Molecular Formula
C11H16N2
SMILES
C1CN(CCN1)CC2=CC=CC=C2
InChI
InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2
InChIKey
IQXXEPZFOOTTBA-UHFFFAOYSA-N
Compound name
1-benzylpiperazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

136
References

14009
Patents

176.13135 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 140.4
[M+Na]+ 199.120568 144.8
[M-H]- 175.124074 141.7
[M+NH4]+ 194.165173 156.5
[M+K]+ 215.094508 141.0
[M+H-H2O]+ 159.128610 131.9
[M+HCOO]- 221.129551 157.3
[M+CH3COO]- 235.145201 151.1
[M+Na-2H]- 197.106016 146.7
[M]+ 176.13080142 133.2
[M]- 176.13189858 133.2
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