CID 199689

Thiiranemethanethiol

Structural Information

Molecular Formula

C₃H₆S₂

SMILES

C1C(S1)CS

InChI

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

InChIKey

CVHLOUDPCBXUES-UHFFFAOYSA-N

Compound name

thiiran-2-ylmethanethiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 494
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	109.3
[M+Na]+	128.98031	119.2
[M-H]-	104.98381	114.2
[M+NH4]+	124.02491	128.0
[M+K]+	144.95425	116.9
[M+H-H2O]+	88.988350	103.5
[M+HCOO]-	150.98929	123.4
[M+CH3COO]-	165.00494	170.0
[M+Na-2H]-	126.96576	112.6
[M]+	105.99054	113.1
[M]-	105.99164	113.1

Literature stripe

literature stripe

Patent stripe

patents stripe