CID 110693

5694-82-6

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
2
Annotation Hits

0
References

57
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 156.4
[M+Na]+ 249.14611 164.3
[M+NH4]+ 244.19071 162.4
[M+K]+ 265.12005 161.9
[M-H]- 225.14961 158.0
[M+Na-2H]- 247.13156 156.2
[M]+ 226.15634 157.6
[M]- 226.15744 157.6
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.