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
2
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]+ 269.247506 169.6
[M+Na]+ 291.229448 173.5
[M-H]- 267.232954 173.3
[M+NH4]+ 286.274053 185.9
[M+K]+ 307.203388 173.8
[M+H-H2O]+ 251.237490 164.3
[M+HCOO]- 313.238431 184.0
[M+CH3COO]- 327.254081 202.8
[M+Na-2H]- 289.214896 170.1
[M]+ 268.23968142 171.4
[M]- 268.24077858 171.4
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

No patent data available for this compound.