CID 548353

2,3-butanedithiol

Structural Information

Molecular Formula

C₄H₁₀S₂

SMILES

CC(C(C)S)S

InChI

InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3

InChIKey

TWWSEEHCVDRRRI-UHFFFAOYSA-N

Compound name

butane-2,3-dithiol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 3936
Patents: 122.02239 Da
Monoisotopic Mass: 1.7
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]+	123.02967	120.3
[M+Na]+	145.01161	127.6
[M-H]-	121.01511	121.0
[M+NH4]+	140.05621	143.2
[M+K]+	160.98555	126.3
[M+H-H2O]+	105.01965	115.7
[M+HCOO]-	167.02059	130.9
[M+CH3COO]-	181.03624	172.1
[M+Na-2H]-	142.99706	119.9
[M]+	122.02184	122.2
[M]-	122.02294	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe