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]+ 121.03178 120.3
[M+Na]+ 143.01372 128.2
[M-H]- 119.01722 125.4
[M+NH4]+ 138.05832 142.5
[M+K]+ 158.98766 130.4
[M+H-H2O]+ 103.02176 116.3
[M+HCOO]- 165.02270 138.0
[M+CH3COO]- 179.03835 165.1
[M+Na-2H]- 140.99917 125.3
[M]+ 120.02395 122.5
[M]- 120.02505 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