CID 14818259

(1,3-dioxolan-2-yl)methanethiol

Structural Information

Molecular Formula
C4H8O2S
SMILES
C1COC(O1)CS
InChI
InChI=1S/C4H8O2S/c7-3-4-5-1-2-6-4/h4,7H,1-3H2
InChIKey
GDBIKZDQPJKQBN-UHFFFAOYSA-N
Compound name
1,3-dioxolan-2-ylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

120.0245 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.031776 120.3
[M+Na]+ 143.013718 128.2
[M-H]- 119.017224 125.4
[M+NH4]+ 138.058323 142.5
[M+K]+ 158.987658 130.4
[M+H-H2O]+ 103.021760 116.3
[M+HCOO]- 165.022701 138.0
[M+CH3COO]- 179.038351 165.1
[M+Na-2H]- 140.999166 125.3
[M]+ 120.02395142 122.5
[M]- 120.02504858 122.5
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