CID 6442039

72894-08-7

Structural Information

Molecular Formula
C11H20S
SMILES
CC(=CCC/C(=C\CSC)/C)C
InChI
InChI=1S/C11H20S/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8-
InChIKey
ZXQUDAMFLBJUIK-FLIBITNWSA-N
Compound name
(2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

184.12857 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.13585 144.8
[M+Na]+ 207.11779 150.2
[M-H]- 183.12129 144.7
[M+NH4]+ 202.16239 165.5
[M+K]+ 223.09173 147.5
[M+H-H2O]+ 167.12583 139.6
[M+HCOO]- 229.12677 159.8
[M+CH3COO]- 243.14242 184.8
[M+Na-2H]- 205.10324 143.4
[M]+ 184.12802 147.2
[M]- 184.12912 147.2
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

patents stripe