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

2
Patents

156.12627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.133546 136.6
[M+Na]+ 179.115488 143.2
[M-H]- 155.118994 135.6
[M+NH4]+ 174.160093 154.5
[M+K]+ 195.089428 141.0
[M+H-H2O]+ 139.123530 130.0
[M+HCOO]- 201.124471 153.4
[M+CH3COO]- 215.140121 175.5
[M+Na-2H]- 177.100936 140.4
[M]+ 156.12572142 132.5
[M]- 156.12681858 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

patents stripe