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]+ 199.180496 149.1
[M+Na]+ 221.162438 154.7
[M-H]- 197.165944 148.1
[M+NH4]+ 216.207043 167.4
[M+K]+ 237.136378 153.2
[M+H-H2O]+ 181.170480 143.6
[M+HCOO]- 243.171421 162.5
[M+CH3COO]- 257.187071 182.9
[M+Na-2H]- 219.147886 152.9
[M]+ 198.17267142 144.9
[M]- 198.17376858 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

patents stripe