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 157.4
[M+Na]+ 275.19814 164.5
[M-H]- 251.20164 161.0
[M+NH4]+ 270.24274 179.3
[M+K]+ 291.17208 163.1
[M+H-H2O]+ 235.20618 153.5
[M+HCOO]- 297.20712 176.5
[M+CH3COO]- 311.22277 199.9
[M+Na-2H]- 273.18359 159.7
[M]+ 252.20837 160.6
[M]- 252.20947 160.6
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