CID 211157

3,3-dimethylpiperazin-2-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1(C(=O)NCCN1)C
InChI
InChI=1S/C6H12N2O/c1-6(2)5(9)7-3-4-8-6/h8H,3-4H2,1-2H3,(H,7,9)
InChIKey
ZBFIRYWCOIYJDA-UHFFFAOYSA-N
Compound name
3,3-dimethylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

371
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

literature stripe

Patent stripe

patents stripe