CID 45037420

3-benzyl-1-methylpiperazin-2-one hydrochloride

Structural Information

Molecular Formula
C12H16N2O
SMILES
CN1CCNC(C1=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H16N2O/c1-14-8-7-13-11(12(14)15)9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKey
ACSOWGSOCCQEPK-UHFFFAOYSA-N
Compound name
3-benzyl-1-methylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 147.4
[M+Na]+ 227.115488 153.5
[M-H]- 203.118994 149.3
[M+NH4]+ 222.160093 162.8
[M+K]+ 243.089428 149.4
[M+H-H2O]+ 187.123530 139.0
[M+HCOO]- 249.124471 164.3
[M+CH3COO]- 263.140121 183.2
[M+Na-2H]- 225.100936 151.6
[M]+ 204.12572142 142.1
[M]- 204.12681858 142.1
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