CID 21900837

1499730-57-2

Structural Information

Molecular Formula
C4H8OS
SMILES
C1C(CS1)CO
InChI
InChI=1S/C4H8OS/c5-1-4-2-6-3-4/h4-5H,1-3H2
InChIKey
WTRVLKQKYDECIP-UHFFFAOYSA-N
Compound name
thietan-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

104.02959 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.036866 112.3
[M+Na]+ 127.018808 117.8
[M-H]- 103.022314 114.6
[M+NH4]+ 122.063413 128.5
[M+K]+ 142.992748 119.7
[M+H-H2O]+ 87.026850 102.4
[M+HCOO]- 149.027791 128.4
[M+CH3COO]- 163.043441 166.3
[M+Na-2H]- 125.004256 116.3
[M]+ 104.02904142 120.1
[M]- 104.03013858 120.1
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