CID 63601219

1,3-diethylpiperazin-2-one

Structural Information

Molecular Formula
C8H16N2O
SMILES
CCC1C(=O)N(CCN1)CC
InChI
InChI=1S/C8H16N2O/c1-3-7-8(11)10(4-2)6-5-9-7/h7,9H,3-6H2,1-2H3
InChIKey
PAJMMWJDTTVBSJ-UHFFFAOYSA-N
Compound name
1,3-diethylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.12627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 136.6
[M+Na]+ 179.11549 143.2
[M-H]- 155.11899 135.6
[M+NH4]+ 174.16009 154.5
[M+K]+ 195.08943 141.0
[M+H-H2O]+ 139.12353 130.0
[M+HCOO]- 201.12447 153.4
[M+CH3COO]- 215.14012 175.5
[M+Na-2H]- 177.10094 140.4
[M]+ 156.12572 132.5
[M]- 156.12682 132.5
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

No patent data available for this compound.