CID 12231941

1,2,2-trimethylpiperidin-4-one hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1(CC(=O)CCN1C)C
InChI
InChI=1S/C8H15NO/c1-8(2)6-7(10)4-5-9(8)3/h4-6H2,1-3H3
InChIKey
DNPNNOWIJPCHMA-UHFFFAOYSA-N
Compound name
1,2,2-trimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

141.11537 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 128.8
[M+Na]+ 164.104588 136.6
[M-H]- 140.108094 131.2
[M+NH4]+ 159.149193 151.5
[M+K]+ 180.078528 136.0
[M+H-H2O]+ 124.112630 123.9
[M+HCOO]- 186.113571 148.5
[M+CH3COO]- 200.129221 175.0
[M+Na-2H]- 162.090036 134.5
[M]+ 141.11482142 126.4
[M]- 141.11591858 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe