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

119
Patents

128.09496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 128.2
[M+Na]+ 151.08418 135.2
[M-H]- 127.08768 126.2
[M+NH4]+ 146.12878 148.3
[M+K]+ 167.05812 132.9
[M+H-H2O]+ 111.09222 122.9
[M+HCOO]- 173.09316 144.2
[M+CH3COO]- 187.10881 165.3
[M+Na-2H]- 149.06963 134.4
[M]+ 128.09441 121.5
[M]- 128.09551 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