CID 6453614

3,3-dimethyl-1,2-dithiolane

Structural Information

Molecular Formula

C₅H₁₀S₂

SMILES

CC1(CCSS1)C

InChI

InChI=1S/C5H10S2/c1-5(2)3-4-6-7-5/h3-4H2,1-2H3

InChIKey

LFHJFWOMFQJUBC-UHFFFAOYSA-N

Compound name

3,3-dimethyldithiolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 53
Patents: 134.0224 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]+	135.02968	123.7
[M+Na]+	157.01162	132.2
[M-H]-	133.01512	127.4
[M+NH4]+	152.05622	150.0
[M+K]+	172.98556	130.4
[M+H-H2O]+	117.01966	120.2
[M+HCOO]-	179.02060	136.3
[M+CH3COO]-	193.03625	169.1
[M+Na-2H]-	154.99707	125.2
[M]+	134.02185	123.8
[M]-	134.02295	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe