CID 59767745

1-(3,3-dimethylpiperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(=O)N1CCNC(C1)(C)C
InChI
InChI=1S/C8H16N2O/c1-7(11)10-5-4-9-8(2,3)6-10/h9H,4-6H2,1-3H3
InChIKey
XVWBIXSBHLGBBA-UHFFFAOYSA-N
Compound name
1-(3,3-dimethylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

156.12627 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 136.1
[M+Na]+ 179.11549 142.4
[M-H]- 155.11899 135.2
[M+NH4]+ 174.16009 155.8
[M+K]+ 195.08943 141.1
[M+H-H2O]+ 139.12353 130.3
[M+HCOO]- 201.12447 152.0
[M+CH3COO]- 215.14012 174.1
[M+Na-2H]- 177.10094 140.6
[M]+ 156.12572 131.2
[M]- 156.12682 131.2
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