CID 118291

36306-86-2

Structural Information

Molecular Formula
C16H28O2
SMILES
CCOC1=CC(C(C(C1)(C)C)C(=C)OCC)(C)C
InChI
InChI=1S/C16H28O2/c1-8-17-12(3)14-15(4,5)10-13(18-9-2)11-16(14,6)7/h10,14H,3,8-9,11H2,1-2,4-7H3
InChIKey
FECJTTMWFXVFRG-UHFFFAOYSA-N
Compound name
1-ethoxy-4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

252.20892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 161.1
[M+Na]+ 275.19814 172.0
[M+NH4]+ 270.24274 171.5
[M+K]+ 291.17208 161.9
[M-H]- 251.20164 162.6
[M+Na-2H]- 273.18359 167.6
[M]+ 252.20837 163.4
[M]- 252.20947 163.4
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

patents stripe