CID 23319685

6,6-dimethylpiperazin-2-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1(CNCC(=O)N1)C
InChI
InChI=1S/C6H12N2O/c1-6(2)4-7-3-5(9)8-6/h7H,3-4H2,1-2H3,(H,8,9)
InChIKey
JQSRSLNOFGCYKF-UHFFFAOYSA-N
Compound name
6,6-dimethylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

128.09496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 128.2
[M+Na]+ 151.084178 135.2
[M-H]- 127.087684 126.2
[M+NH4]+ 146.128783 148.3
[M+K]+ 167.058118 132.9
[M+H-H2O]+ 111.092220 122.9
[M+HCOO]- 173.093161 144.2
[M+CH3COO]- 187.108811 165.3
[M+Na-2H]- 149.069626 134.4
[M]+ 128.09441142 121.5
[M]- 128.09550858 121.5
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