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 106.3
[M+Na]+ 113.00316 113.2
[M+NH4]+ 108.04776 112.5
[M+K]+ 128.97710 108.8
[M-H]- 89.006664 106.9
[M+Na-2H]- 110.98861 109.5
[M]+ 90.013391 106.7
[M]- 90.014489 106.7
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