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

1
Patents

204.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 147.4
[M+Na]+ 227.11549 153.5
[M-H]- 203.11899 149.3
[M+NH4]+ 222.16009 162.8
[M+K]+ 243.08943 149.4
[M+H-H2O]+ 187.12353 139.0
[M+HCOO]- 249.12447 164.3
[M+CH3COO]- 263.14012 183.2
[M+Na-2H]- 225.10094 151.6
[M]+ 204.12572 142.1
[M]- 204.12682 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