CID 20806335

1,5-dimethylpiperazin-2-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1CN(C(=O)CN1)C
InChI
InChI=1S/C6H12N2O/c1-5-4-8(2)6(9)3-7-5/h5,7H,3-4H2,1-2H3
InChIKey
TUXCFTFFNGQODI-UHFFFAOYSA-N
Compound name
1,5-dimethylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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 127.6
[M+Na]+ 151.08418 135.0
[M-H]- 127.08768 127.0
[M+NH4]+ 146.12878 146.7
[M+K]+ 167.05812 133.4
[M+H-H2O]+ 111.09222 121.4
[M+HCOO]- 173.09316 145.1
[M+CH3COO]- 187.10881 169.5
[M+Na-2H]- 149.06963 132.5
[M]+ 128.09441 122.8
[M]- 128.09551 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