CID 22973907

Oxetane-3-thiol

Structural Information

Molecular Formula
C3H6OS
SMILES
C1C(CO1)S
InChI
InChI=1S/C3H6OS/c5-3-1-4-2-3/h3,5H,1-2H2
InChIKey
IIHDGFSXMNLJKC-UHFFFAOYSA-N
Compound name
oxetane-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

90.01394 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.021216 104.2
[M+Na]+ 113.003158 110.7
[M-H]- 89.006664 108.9
[M+NH4]+ 108.047763 120.6
[M+K]+ 128.977098 114.9
[M+H-H2O]+ 73.011200 94.6
[M+HCOO]- 135.012141 121.6
[M+CH3COO]- 149.027791 165.9
[M+Na-2H]- 110.988606 110.6
[M]+ 90.01339142 114.1
[M]- 90.01448858 114.1
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