CID 12424039

1,2-dimethylpiperidin-4-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1CC(=O)CCN1C
InChI
InChI=1S/C7H13NO/c1-6-5-7(9)3-4-8(6)2/h6H,3-5H2,1-2H3
InChIKey
YLRRFARMTNWZKA-UHFFFAOYSA-N
Compound name
1,2-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 125.7
[M+Na]+ 150.08894 133.1
[M-H]- 126.09244 127.9
[M+NH4]+ 145.13354 146.9
[M+K]+ 166.06288 132.3
[M+H-H2O]+ 110.09698 120.1
[M+HCOO]- 172.09792 145.7
[M+CH3COO]- 186.11357 172.4
[M+Na-2H]- 148.07439 130.7
[M]+ 127.09917 122.6
[M]- 127.10027 122.6
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