CID 138679

2-methyl-2-methylsulfanylpropane

Structural Information

Molecular Formula

C₅H₁₂S

SMILES

CC(C)(C)SC

InChI

InChI=1S/C5H12S/c1-5(2,3)6-4/h1-4H3

InChIKey

CJFVCTVYZFTORU-UHFFFAOYSA-N

Compound name

2-methyl-2-methylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5457
Patents: 104.06597 Da
Monoisotopic Mass: 1.9
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]+	105.07325	120.0
[M+Na]+	127.05519	128.3
[M-H]-	103.05869	121.2
[M+NH4]+	122.09979	144.2
[M+K]+	143.02913	127.9
[M+H-H2O]+	87.063230	116.4
[M+HCOO]-	149.06417	137.2
[M+CH3COO]-	163.07982	168.0
[M+Na-2H]-	125.04064	124.6
[M]+	104.06542	122.5
[M]-	104.06652	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe