CID 110693

Dtxsid00863596

Structural Information

Molecular Formula
C13H22O3
SMILES
CC(=CCCC(=CC1OCC(O1)CO)C)C
InChI
InChI=1S/C13H22O3/c1-10(2)5-4-6-11(3)7-13-15-9-12(8-14)16-13/h5,7,12-14H,4,6,8-9H2,1-3H3
InChIKey
PARQKBHRABMRKU-UHFFFAOYSA-N
Compound name
[2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

46
Patents

226.15689 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.164166 158.3
[M+Na]+ 249.146108 162.6
[M-H]- 225.149614 160.7
[M+NH4]+ 244.190713 174.9
[M+K]+ 265.120048 162.2
[M+H-H2O]+ 209.154150 153.1
[M+HCOO]- 271.155091 174.9
[M+CH3COO]- 285.170741 187.7
[M+Na-2H]- 247.131556 158.3
[M]+ 226.15634142 158.6
[M]- 226.15743858 158.6
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

No patent data available for this compound.