CID 61995

Allyl thiopropionate

Structural Information

Molecular Formula
C6H10OS
SMILES
CCC(=O)SCC=C
InChI
InChI=1S/C6H10OS/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
InChIKey
GKRISGLFPMFKSX-UHFFFAOYSA-N
Compound name
S-prop-2-enyl propanethioate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

119
Patents

130.04524 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.05252 125.6
[M+Na]+ 153.03446 133.3
[M-H]- 129.03796 126.3
[M+NH4]+ 148.07906 148.4
[M+K]+ 169.00840 131.8
[M+H-H2O]+ 113.04250 121.2
[M+HCOO]- 175.04344 143.5
[M+CH3COO]- 189.05909 171.4
[M+Na-2H]- 151.01991 128.0
[M]+ 130.04469 128.3
[M]- 130.04579 128.3
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.