CID 21900837

Thietan-3-ylmethanol

Structural Information

Molecular Formula

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: 63
Patents: 104.02959 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	105.03687	112.0
[M+Na]+	127.01881	117.8
[M+NH4]+	122.06341	117.7
[M+K]+	142.99275	113.1
[M-H]-	103.02231	110.8
[M+Na-2H]-	125.00426	114.7
[M]+	104.02904	111.6
[M]-	104.03014	111.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe