CID 10866303

13702-10-8

Structural Information

Molecular Formula
C5H6OS
SMILES
CC(=O)SCC#C
InChI
InChI=1S/C5H6OS/c1-3-4-7-5(2)6/h1H,4H2,2H3
InChIKey
UYZVABQVIWVBOC-UHFFFAOYSA-N
Compound name
S-prop-2-ynyl ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

114.01394 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.02122 117.3
[M+Na]+ 137.00316 127.8
[M+NH4]+ 132.04776 122.6
[M+K]+ 152.97710 118.3
[M-H]- 113.00666 109.6
[M+Na-2H]- 134.98861 118.7
[M]+ 114.01339 116.1
[M]- 114.01449 116.1
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