CID 23545909

3,4-dimethylpiperazin-2-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1C(=O)NCCN1C
InChI
InChI=1S/C6H12N2O/c1-5-6(9)7-3-4-8(5)2/h5H,3-4H2,1-2H3,(H,7,9)
InChIKey
ZABGQRMKTCBTIT-UHFFFAOYSA-N
Compound name
3,4-dimethylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

128.09496 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 127.6
[M+Na]+ 151.084178 135.0
[M-H]- 127.087684 127.0
[M+NH4]+ 146.128783 146.7
[M+K]+ 167.058118 133.4
[M+H-H2O]+ 111.092220 121.4
[M+HCOO]- 173.093161 145.1
[M+CH3COO]- 187.108811 169.5
[M+Na-2H]- 149.069626 132.5
[M]+ 128.09441142 122.8
[M]- 128.09550858 122.8
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