CID 145913323

67338-31-2

Structural Information

Molecular Formula
C8H12OS
SMILES
CC(=O)SCC1CC=CC1
InChI
InChI=1S/C8H12OS/c1-7(9)10-6-8-4-2-3-5-8/h2-3,8H,4-6H2,1H3
InChIKey
GUIFDYWBHMDXMV-UHFFFAOYSA-N
Compound name
S-(cyclopent-3-en-1-ylmethyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.06088 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06816 134.3
[M+Na]+ 179.05010 141.6
[M-H]- 155.05360 138.1
[M+NH4]+ 174.09470 157.7
[M+K]+ 195.02404 140.1
[M+H-H2O]+ 139.05814 129.3
[M+HCOO]- 201.05908 152.6
[M+CH3COO]- 215.07473 174.0
[M+Na-2H]- 177.03555 135.0
[M]+ 156.06033 135.6
[M]- 156.06143 135.6
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.