CID 3024290

94291-86-8

Structural Information

Molecular Formula
C21H42O3
SMILES
CC(CCC=C(C)C)CCOC(CC(C)CCCC(C)(C)O)OC
InChI
InChI=1S/C21H42O3/c1-17(2)10-8-11-18(3)13-15-24-20(23-7)16-19(4)12-9-14-21(5,6)22/h10,18-20,22H,8-9,11-16H2,1-7H3
InChIKey
GKWDNHWDEWUFBB-UHFFFAOYSA-N
Compound name
8-(3,7-dimethyloct-6-enoxy)-8-methoxy-2,6-dimethyloctan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.3134 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.320676 195.3
[M+Na]+ 365.302618 195.9
[M-H]- 341.306124 192.1
[M+NH4]+ 360.347223 208.3
[M+K]+ 381.276558 194.2
[M+H-H2O]+ 325.310660 189.3
[M+HCOO]- 387.311601 208.2
[M+CH3COO]- 401.327251 217.4
[M+Na-2H]- 363.288066 190.0
[M]+ 342.31285142 201.0
[M]- 342.31394858 201.0
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.