CID 138710

2-cyclohexen-1-one, 3-ethoxy-5,5-dimethyl-

Structural Information

Molecular Formula
C10H16O2
SMILES
CCOC1=CC(=O)CC(C1)(C)C
InChI
InChI=1S/C10H16O2/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5H,4,6-7H2,1-3H3
InChIKey
HALCXXAVLJHSTJ-UHFFFAOYSA-N
Compound name
3-ethoxy-5,5-dimethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

168.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 134.4
[M+Na]+ 191.10426 142.4
[M-H]- 167.10776 138.3
[M+NH4]+ 186.14886 157.5
[M+K]+ 207.07820 141.6
[M+H-H2O]+ 151.11230 130.0
[M+HCOO]- 213.11324 156.5
[M+CH3COO]- 227.12889 180.1
[M+Na-2H]- 189.08971 140.2
[M]+ 168.11449 135.2
[M]- 168.11559 135.2
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