CID 521863

5905-47-5

Structural Information

Molecular Formula

C₄H₈S₂

SMILES

CC=CSSC

InChI

InChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3

InChIKey

FUDUFCLRGSEHAJ-UHFFFAOYSA-N

Compound name

1-(methyldisulfanyl)prop-1-ene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 214
Patents: 120.006744 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]+	121.01402	119.0
[M+Na]+	142.99596	127.4
[M-H]-	118.99947	119.8
[M+NH4]+	138.04057	142.3
[M+K]+	158.96990	124.7
[M+H-H2O]+	103.00400	114.6
[M+HCOO]-	165.00494	132.1
[M+CH3COO]-	179.02060	168.9
[M+Na-2H]-	140.98141	120.6
[M]+	120.00620	121.4
[M]-	120.00729	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe