CID 11815833

Thietane-3-thiol

Structural Information

Molecular Formula

C₃H₆S₂

SMILES

C1C(CS1)S

InChI

InChI=1S/C3H6S2/c4-3-1-5-2-3/h3-4H,1-2H2

InChIKey

YBMVZVLECNUPCZ-UHFFFAOYSA-N

Compound name

thietane-3-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 105.99109 Da
Monoisotopic Mass: 1.0
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]+	106.99837	106.5
[M+Na]+	128.98031	112.3
[M-H]-	104.98381	109.8
[M+NH4]+	124.02491	123.2
[M+K]+	144.95425	113.6
[M+H-H2O]+	88.988350	95.9
[M+HCOO]-	150.98929	118.2
[M+CH3COO]-	165.00494	169.3
[M+Na-2H]-	126.96576	108.8
[M]+	105.99054	114.8
[M]-	105.99164	114.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe