CID 6441536

2-(3,7-dimethylocta-2,6-dienyl)-1,3-dioxolane

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
1
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]+ 211.16927 155.4
[M+Na]+ 233.15121 159.3
[M-H]- 209.15471 158.8
[M+NH4]+ 228.19581 173.1
[M+K]+ 249.12515 159.4
[M+H-H2O]+ 193.15925 149.9
[M+HCOO]- 255.16019 173.3
[M+CH3COO]- 269.17584 187.0
[M+Na-2H]- 231.13666 156.5
[M]+ 210.16144 155.7
[M]- 210.16254 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.