CID 109477

1,3-dioxane, 2-(3,7-dimethyl-6-octenyl)-4,4,6-trimethyl-

Structural Information

Molecular Formula
C17H32O2
SMILES
CC1CC(OC(O1)CCC(C)CCC=C(C)C)(C)C
InChI
InChI=1S/C17H32O2/c1-13(2)8-7-9-14(3)10-11-16-18-15(4)12-17(5,6)19-16/h8,14-16H,7,9-12H2,1-6H3
InChIKey
GLPCRNNIZYRLPH-UHFFFAOYSA-N
Compound name
2-(3,7-dimethyloct-6-enyl)-4,4,6-trimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.24023 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.24751 169.6
[M+Na]+ 291.22945 179.2
[M+NH4]+ 286.27405 177.9
[M+K]+ 307.20339 171.8
[M-H]- 267.23295 173.2
[M+Na-2H]- 289.21490 172.1
[M]+ 268.23968 172.1
[M]- 268.24078 172.1
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.