CID 51520

72033-37-5

Structural Information

Molecular Formula

C₆H₁₂S₂

SMILES

CC1CSC(CS1)C

InChI

InChI=1S/C6H12S2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3

InChIKey

OGQAHQBLZPEVNY-UHFFFAOYSA-N

Compound name

2,5-dimethyl-1,4-dithiane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 148.03804 Da
Monoisotopic Mass: 2.2
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]+	149.04532	126.0
[M+Na]+	171.02726	132.7
[M-H]-	147.03076	129.2
[M+NH4]+	166.07186	148.1
[M+K]+	187.00120	130.1
[M+H-H2O]+	131.03530	121.2
[M+HCOO]-	193.03624	136.1
[M+CH3COO]-	207.05189	173.6
[M+Na-2H]-	169.01271	126.4
[M]+	148.03749	124.0
[M]-	148.03859	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe