CID 3064789

105770-01-2

Structural Information

Molecular Formula
C9H10O3S2
SMILES
CCCOC(=S)SC(=O)C1=CC=CO1
InChI
InChI=1S/C9H10O3S2/c1-2-5-12-9(13)14-8(10)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3
InChIKey
XECGEZCKWJYWSL-UHFFFAOYSA-N
Compound name
O-propyl furan-2-carbonylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00714 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01442 150.5
[M+Na]+ 252.99636 159.4
[M+NH4]+ 248.04096 158.2
[M+K]+ 268.97030 152.8
[M-H]- 228.99986 152.2
[M+Na-2H]- 250.98181 152.4
[M]+ 230.00659 153.0
[M]- 230.00769 153.0
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.