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

102
Patents

144.06088 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.068156 130.5
[M+Na]+ 167.050098 137.5
[M-H]- 143.053604 131.1
[M+NH4]+ 162.094703 152.7
[M+K]+ 183.024038 136.2
[M+H-H2O]+ 127.058140 125.9
[M+HCOO]- 189.059081 147.0
[M+CH3COO]- 203.074731 174.6
[M+Na-2H]- 165.035546 131.2
[M]+ 144.06033142 132.8
[M]- 144.06142858 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