CID 474254

1-(thiiran-2-yl)ethanethiol

Structural Information

Molecular Formula
C4H8S2
SMILES
CC(C1CS1)S
InChI
InChI=1S/C4H8S2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3
InChIKey
CUYXQZNEBVBGCV-UHFFFAOYSA-N
Compound name
1-(thiiran-2-yl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 112.9
[M+Na]+ 142.99596 122.0
[M-H]- 118.99947 117.6
[M+NH4]+ 138.04057 131.0
[M+K]+ 158.96990 119.9
[M+H-H2O]+ 103.00400 107.0
[M+HCOO]- 165.00494 125.7
[M+CH3COO]- 179.02060 173.5
[M+Na-2H]- 140.98141 114.9
[M]+ 120.00620 116.5
[M]- 120.00729 116.5
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

No patent data available for this compound.