CID 474263

S-[3-(thiiran-2-yl)propyl] methanethioate

Structural Information

Molecular Formula
C6H10OS2
SMILES
C1C(S1)CCCSC=O
InChI
InChI=1S/C6H10OS2/c7-5-8-3-1-2-6-4-9-6/h5-6H,1-4H2
InChIKey
CKNCRCKNHVERPH-UHFFFAOYSA-N
Compound name
S-[3-(thiiran-2-yl)propyl] methanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.0173 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02458 125.3
[M+Na]+ 185.00652 134.1
[M-H]- 161.01002 129.6
[M+NH4]+ 180.05112 141.8
[M+K]+ 200.98046 130.6
[M+H-H2O]+ 145.01456 118.9
[M+HCOO]- 207.01550 138.9
[M+CH3COO]- 221.03115 179.3
[M+Na-2H]- 182.99197 127.3
[M]+ 162.01675 130.8
[M]- 162.01785 130.8
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

No patent data available for this compound.