CID 3019334

4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene

Structural Information

Molecular Formula
C15H28O2
SMILES
CC(C)CCCC1=CCC(CC1)C(OC)OC
InChI
InChI=1S/C15H28O2/c1-12(2)6-5-7-13-8-10-14(11-9-13)15(16-3)17-4/h8,12,14-15H,5-7,9-11H2,1-4H3
InChIKey
WMFBFSHKNMJVFB-UHFFFAOYSA-N
Compound name
4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 161.8
[M+Na]+ 263.198138 164.9
[M-H]- 239.201644 164.0
[M+NH4]+ 258.242743 179.4
[M+K]+ 279.172078 164.0
[M+H-H2O]+ 223.206180 155.2
[M+HCOO]- 285.207121 179.9
[M+CH3COO]- 299.222771 197.0
[M+Na-2H]- 261.183586 161.5
[M]+ 240.20837142 163.0
[M]- 240.20946858 163.0
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.