CID 13520416

3-benzylpiperazin-2-one hydrochloride

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CNC(=O)C(N1)CC2=CC=CC=C2
InChI
InChI=1S/C11H14N2O/c14-11-10(12-6-7-13-11)8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKey
XEJMAPBQIWVIRL-UHFFFAOYSA-N
Compound name
3-benzylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

190.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 143.4
[M+Na]+ 213.09983 148.6
[M-H]- 189.10333 143.7
[M+NH4]+ 208.14443 158.3
[M+K]+ 229.07377 143.8
[M+H-H2O]+ 173.10787 135.3
[M+HCOO]- 235.10881 159.2
[M+CH3COO]- 249.12446 176.6
[M+Na-2H]- 211.08528 148.4
[M]+ 190.11006 135.5
[M]- 190.11116 135.5
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