CID 73776

1552-92-7

Structural Information

Molecular Formula
C10H16O2
SMILES
CCOC(=O)C=C1CCCCC1
InChI
InChI=1S/C10H16O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h8H,2-7H2,1H3
InChIKey
MCWDXHYYYNGYGK-UHFFFAOYSA-N
Compound name
ethyl 2-cyclohexylideneacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

168.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 138.6
[M+Na]+ 191.10426 142.9
[M-H]- 167.10776 141.1
[M+NH4]+ 186.14886 158.8
[M+K]+ 207.07820 141.8
[M+H-H2O]+ 151.11230 132.9
[M+HCOO]- 213.11324 158.3
[M+CH3COO]- 227.12889 177.2
[M+Na-2H]- 189.08971 142.0
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.