CID 92606

1-(5,5-dimethyl-1-cyclohexen-1-yl)-4-penten-1-one

Structural Information

Molecular Formula
C13H20O
SMILES
CC1(CCC=C(C1)C(=O)CCC=C)C
InChI
InChI=1S/C13H20O/c1-4-5-8-12(14)11-7-6-9-13(2,3)10-11/h4,7H,1,5-6,8-10H2,2-3H3
InChIKey
OEVIJAZJVZDBQL-UHFFFAOYSA-N
Compound name
1-(5,5-dimethylcyclohexen-1-yl)pent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3861
Patents

192.15141 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 144.7
[M+Na]+ 215.14063 150.5
[M-H]- 191.14413 147.8
[M+NH4]+ 210.18523 166.3
[M+K]+ 231.11457 148.2
[M+H-H2O]+ 175.14867 139.8
[M+HCOO]- 237.14961 164.7
[M+CH3COO]- 251.16526 186.0
[M+Na-2H]- 213.12608 148.1
[M]+ 192.15086 143.3
[M]- 192.15196 143.3
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