CID 2839799

1,3-dioxolane, 2-(2,6-dimethyl-5-heptenyl)-4-methyl-

Structural Information

Molecular Formula
C13H24O2
SMILES
CC1COC(O1)CC(C)CCC=C(C)C
InChI
InChI=1S/C13H24O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,11-13H,5,7-9H2,1-4H3
InChIKey
LSKGUOZAKOLOMT-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylhept-5-enyl)-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 155.7
[M+Na]+ 235.166848 160.2
[M-H]- 211.170354 159.5
[M+NH4]+ 230.211453 173.7
[M+K]+ 251.140788 160.9
[M+H-H2O]+ 195.174890 150.5
[M+HCOO]- 257.175831 173.5
[M+CH3COO]- 271.191481 189.7
[M+Na-2H]- 233.152296 156.2
[M]+ 212.17708142 157.3
[M]- 212.17817858 157.3
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.