CID 58219334

S-propyl 2-propene-1-sulfinothioate

Structural Information

Molecular Formula

C₆H₁₂OS₂

SMILES

CCCSS(=O)CC=C

InChI

InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4H,2-3,5-6H2,1H3

InChIKey

WIZBTKYLPUKXNY-UHFFFAOYSA-N

Compound name

1-prop-2-enylsulfinylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 164.03296 Da
Monoisotopic Mass: 1.6
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]+	165.040236	131.4
[M+Na]+	187.022178	138.6
[M-H]-	163.025684	131.6
[M+NH4]+	182.066783	152.6
[M+K]+	202.996118	135.4
[M+H-H2O]+	147.030220	126.3
[M+HCOO]-	209.031161	143.1
[M+CH3COO]-	223.046811	177.2
[M+Na-2H]-	185.007626	131.1
[M]+	164.03241142	134.7
[M]-	164.03350858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe