CID 4712457

3-ethylpiperazin-2-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
CCC1C(=O)NCCN1
InChI
InChI=1S/C6H12N2O/c1-2-5-6(9)8-4-3-7-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKey
BAOOEQIOVFBREJ-UHFFFAOYSA-N
Compound name
3-ethylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

52
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 128.9
[M+Na]+ 151.084178 134.9
[M-H]- 127.087684 126.4
[M+NH4]+ 146.128783 146.9
[M+K]+ 167.058118 132.3
[M+H-H2O]+ 111.092220 122.6
[M+HCOO]- 173.093161 144.8
[M+CH3COO]- 187.108811 165.7
[M+Na-2H]- 149.069626 133.9
[M]+ 128.09441142 121.8
[M]- 128.09550858 121.8
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