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

59
Patents

226.15689 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.16417 158.3
[M+Na]+ 249.14611 162.6
[M-H]- 225.14961 160.7
[M+NH4]+ 244.19071 174.9
[M+K]+ 265.12005 162.2
[M+H-H2O]+ 209.15415 153.1
[M+HCOO]- 271.15509 174.9
[M+CH3COO]- 285.17074 187.7
[M+Na-2H]- 247.13156 158.3
[M]+ 226.15634 158.6
[M]- 226.15744 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.