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

56
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]+ 113.00316 110.7
[M-H]- 89.006664 108.9
[M+NH4]+ 108.04776 120.6
[M+K]+ 128.97710 114.9
[M+H-H2O]+ 73.011200 94.6
[M+HCOO]- 135.01214 121.6
[M+CH3COO]- 149.02779 165.9
[M+Na-2H]- 110.98861 110.6
[M]+ 90.013391 114.1
[M]- 90.014489 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