CID 474253

2-(thiiran-2-yl)ethanethiol

Structural Information

Molecular Formula
C4H8S2
SMILES
C1C(S1)CCS
InChI
InChI=1S/C4H8S2/c5-2-1-4-3-6-4/h4-5H,1-3H2
InChIKey
SFUJHDSWKGWPCE-UHFFFAOYSA-N
Compound name
2-(thiiran-2-yl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

120.006744 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.01402 113.2
[M+Na]+ 142.99596 122.7
[M-H]- 118.99947 117.9
[M+NH4]+ 138.04057 131.4
[M+K]+ 158.96990 120.2
[M+H-H2O]+ 103.00400 107.3
[M+HCOO]- 165.00494 127.1
[M+CH3COO]- 179.02060 172.8
[M+Na-2H]- 140.98141 116.1
[M]+ 120.00620 117.4
[M]- 120.00729 117.4
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