CID 3084571

Prenyl thioacetate

Structural Information

Molecular Formula
C7H12OS
SMILES
CC(=CCSC(=O)C)C
InChI
InChI=1S/C7H12OS/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
InChIKey
HYSBJYIGYSBFQN-UHFFFAOYSA-N
Compound name
S-(3-methylbut-2-enyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

124
Patents

144.06088 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06816 130.5
[M+Na]+ 167.05010 137.5
[M-H]- 143.05360 131.1
[M+NH4]+ 162.09470 152.7
[M+K]+ 183.02404 136.2
[M+H-H2O]+ 127.05814 125.9
[M+HCOO]- 189.05908 147.0
[M+CH3COO]- 203.07473 174.6
[M+Na-2H]- 165.03555 131.2
[M]+ 144.06033 132.8
[M]- 144.06143 132.8
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

patents stripe