CID 15247

2,5-dimethyltetrahydrothiophene

Structural Information

Molecular Formula

C₆H₁₂S

SMILES

CC1CCC(S1)C

InChI

InChI=1S/C6H12S/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3

InChIKey

IBKCTZVPGMUZGZ-UHFFFAOYSA-N

Compound name

2,5-dimethylthiolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 175
Patents: 116.06597 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]+	117.07325	123.8
[M+Na]+	139.05519	134.3
[M+NH4]+	134.09979	134.4
[M+K]+	155.02913	127.6
[M-H]-	115.05869	126.3
[M+Na-2H]-	137.04064	128.3
[M]+	116.06542	126.4
[M]-	116.06652	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe