CID 13190463

6-methylpiperazin-2-one

Structural Information

Molecular Formula
C5H10N2O
SMILES
CC1CNCC(=O)N1
InChI
InChI=1S/C5H10N2O/c1-4-2-6-3-5(8)7-4/h4,6H,2-3H2,1H3,(H,7,8)
InChIKey
ASFOHWKEKBODLZ-UHFFFAOYSA-N
Compound name
6-methylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

114.079315 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.08659 124.5
[M+Na]+ 137.06853 130.9
[M-H]- 113.07204 122.1
[M+NH4]+ 132.11314 143.0
[M+K]+ 153.04247 128.6
[M+H-H2O]+ 97.076575 118.4
[M+HCOO]- 159.07752 140.7
[M+CH3COO]- 173.09317 162.7
[M+Na-2H]- 135.05398 130.0
[M]+ 114.07877 117.0
[M]- 114.07986 117.0
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