CID 139441

13358-76-4

Structural Information

Molecular Formula
C13H21NO
SMILES
CC1(CC(=CC(=O)C1)N2CCCCC2)C
InChI
InChI=1S/C13H21NO/c1-13(2)9-11(8-12(15)10-13)14-6-4-3-5-7-14/h8H,3-7,9-10H2,1-2H3
InChIKey
ZPOZHYJJQWTDJR-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

207.16231 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.16959 150.8
[M+Na]+ 230.15153 162.7
[M+NH4]+ 225.19613 161.2
[M+K]+ 246.12547 153.5
[M-H]- 206.15503 154.6
[M+Na-2H]- 228.13698 158.4
[M]+ 207.16176 153.7
[M]- 207.16286 153.7
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