CID 20602964

54969-37-8

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(=O)C1CN(CCN1C)C
InChI
InChI=1S/C8H16N2O/c1-7(11)8-6-9(2)4-5-10(8)3/h8H,4-6H2,1-3H3
InChIKey
OVUPHWFDBFNPKJ-UHFFFAOYSA-N
Compound name
1-(1,4-dimethylpiperazin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

156.12627 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 135.4
[M+Na]+ 179.11549 142.1
[M-H]- 155.11899 135.9
[M+NH4]+ 174.16009 154.0
[M+K]+ 195.08943 141.4
[M+H-H2O]+ 139.12353 128.7
[M+HCOO]- 201.12447 152.7
[M+CH3COO]- 215.14012 179.1
[M+Na-2H]- 177.10094 138.6
[M]+ 156.12572 132.6
[M]- 156.12682 132.6
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