CID 199689

Thiiranemethanethiol

Structural Information

Molecular Formula
C3H6S2
SMILES
C1C(S1)CS
InChI
InChI=1S/C3H6S2/c4-1-3-2-5-3/h3-4H,1-2H2
InChIKey
CVHLOUDPCBXUES-UHFFFAOYSA-N
Compound name
thiiran-2-ylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

489
Patents

105.99109 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.99837 109.3
[M+Na]+ 128.98031 119.2
[M-H]- 104.98381 114.2
[M+NH4]+ 124.02491 128.0
[M+K]+ 144.95425 116.9
[M+H-H2O]+ 88.988350 103.5
[M+HCOO]- 150.98929 123.4
[M+CH3COO]- 165.00494 170.0
[M+Na-2H]- 126.96576 112.6
[M]+ 105.99054 113.1
[M]- 105.99164 113.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe