CID 6441536

31180-93-5

Structural Information

Molecular Formula
C13H22O2
SMILES
CC(=CCC/C(=C/CC1OCCO1)/C)C
InChI
InChI=1S/C13H22O2/c1-11(2)5-4-6-12(3)7-8-13-14-9-10-15-13/h5,7,13H,4,6,8-10H2,1-3H3/b12-7+
InChIKey
XCESWGXOHXDKAJ-KPKJPENVSA-N
Compound name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 155.4
[M+Na]+ 233.151208 159.3
[M-H]- 209.154714 158.8
[M+NH4]+ 228.195813 173.1
[M+K]+ 249.125148 159.4
[M+H-H2O]+ 193.159250 149.9
[M+HCOO]- 255.160191 173.3
[M+CH3COO]- 269.175841 187.0
[M+Na-2H]- 231.136656 156.5
[M]+ 210.16144142 155.7
[M]- 210.16253858 155.7
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.