CID 85829365

S-pent-4-yn-1-yl ethanethioate

Structural Information

Molecular Formula
C7H10OS
SMILES
CC(=O)SCCCC#C
InChI
InChI=1S/C7H10OS/c1-3-4-5-6-9-7(2)8/h1H,4-6H2,2H3
InChIKey
MMLYLFARVSPPTR-UHFFFAOYSA-N
Compound name
S-pent-4-ynyl ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.04524 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05252 125.1
[M+Na]+ 165.03446 135.2
[M+NH4]+ 160.07906 130.1
[M+K]+ 181.00840 125.3
[M-H]- 141.03796 117.3
[M+Na-2H]- 163.01991 126.0
[M]+ 142.04469 123.8
[M]- 142.04579 123.8
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