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

75
Patents

104.02959 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03687 112.3
[M+Na]+ 127.01881 117.8
[M-H]- 103.02231 114.6
[M+NH4]+ 122.06341 128.5
[M+K]+ 142.99275 119.7
[M+H-H2O]+ 87.026850 102.4
[M+HCOO]- 149.02779 128.4
[M+CH3COO]- 163.04344 166.3
[M+Na-2H]- 125.00426 116.3
[M]+ 104.02904 120.1
[M]- 104.03014 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