CID 13125044

3,5,6-trimethylpiperazin-2-one

Structural Information

Molecular Formula
C7H14N2O
SMILES
CC1C(NC(=O)C(N1)C)C
InChI
InChI=1S/C7H14N2O/c1-4-5(2)9-7(10)6(3)8-4/h4-6,8H,1-3H3,(H,9,10)
InChIKey
LMUBSPZMKUPTFS-UHFFFAOYSA-N
Compound name
3,5,6-trimethylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

142.11061 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 133.0
[M+Na]+ 165.099828 140.5
[M-H]- 141.103334 131.2
[M+NH4]+ 160.144433 151.1
[M+K]+ 181.073768 137.7
[M+H-H2O]+ 125.107870 127.2
[M+HCOO]- 187.108811 148.6
[M+CH3COO]- 201.124461 171.1
[M+Na-2H]- 163.085276 136.0
[M]+ 142.11006142 127.0
[M]- 142.11115858 127.0
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