CID 11310397

Einecs 301-439-3

Structural Information

Molecular Formula
C12H20OS
SMILES
CC(=CCC/C(=C/C1OCCS1)/C)C
InChI
InChI=1S/C12H20OS/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,9,12H,4,6-8H2,1-3H3/b11-9+
InChIKey
HMOWOIXFMXZXDA-PKNBQFBNSA-N
Compound name
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-oxathiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.12349 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13077 153.5
[M+Na]+ 235.11271 158.2
[M-H]- 211.11621 156.9
[M+NH4]+ 230.15731 173.3
[M+K]+ 251.08665 156.6
[M+H-H2O]+ 195.12075 148.2
[M+HCOO]- 257.12169 167.4
[M+CH3COO]- 271.13734 185.6
[M+Na-2H]- 233.09816 151.1
[M]+ 212.12294 153.8
[M]- 212.12404 153.8
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.