CID 88546789

1890079-79-4

Structural Information

Molecular Formula
C4H8OS
SMILES
C1C(CO1)CS
InChI
InChI=1S/C4H8OS/c6-3-4-1-5-2-4/h4,6H,1-3H2
InChIKey
RDGWMUOKWPCMHV-UHFFFAOYSA-N
Compound name
oxetan-3-ylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

104.02959 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03687 108.9
[M+Na]+ 127.01881 114.9
[M-H]- 103.02231 113.4
[M+NH4]+ 122.06341 124.7
[M+K]+ 142.99275 118.9
[M+H-H2O]+ 87.026850 99.0
[M+HCOO]- 149.02779 125.9
[M+CH3COO]- 163.04344 168.8
[M+Na-2H]- 125.00426 114.7
[M]+ 104.02904 119.1
[M]- 104.03014 119.1
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