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

25
Patents

104.02959 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.036866 108.9
[M+Na]+ 127.018808 114.9
[M-H]- 103.022314 113.4
[M+NH4]+ 122.063413 124.7
[M+K]+ 142.992748 118.9
[M+H-H2O]+ 87.026850 99.0
[M+HCOO]- 149.027791 125.9
[M+CH3COO]- 163.043441 168.8
[M+Na-2H]- 125.004256 114.7
[M]+ 104.02904142 119.1
[M]- 104.03013858 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