CID 58562017

1-(3,3-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one

Structural Information

Molecular Formula
C11H22N2O
SMILES
CC1(CN(CCN1)C(=O)C(C)(C)C)C
InChI
InChI=1S/C11H22N2O/c1-10(2,3)9(14)13-7-6-12-11(4,5)8-13/h12H,6-8H2,1-5H3
InChIKey
JSNBTGUEYCTDKP-UHFFFAOYSA-N
Compound name
1-(3,3-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.17322 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.18050 149.1
[M+Na]+ 221.16244 154.7
[M-H]- 197.16594 148.1
[M+NH4]+ 216.20704 167.4
[M+K]+ 237.13638 153.2
[M+H-H2O]+ 181.17048 143.6
[M+HCOO]- 243.17142 162.5
[M+CH3COO]- 257.18707 182.9
[M+Na-2H]- 219.14789 152.9
[M]+ 198.17267 144.9
[M]- 198.17377 144.9
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.