CID 12628027

2-methyl-2-(methylsulfanyl)propan-1-ol

Structural Information

Molecular Formula

SMILES

CC(C)(CO)SC

InChI

InChI=1S/C5H12OS/c1-5(2,4-6)7-3/h6H,4H2,1-3H3

InChIKey

WABFZEAMBRXWED-UHFFFAOYSA-N

Compound name

2-methyl-2-methylsulfanylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 120.06088 Da
Monoisotopic Mass: 0.8
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]+	121.068156	124.5
[M+Na]+	143.050098	132.1
[M-H]-	119.053604	123.9
[M+NH4]+	138.094703	147.1
[M+K]+	159.024038	131.0
[M+H-H2O]+	103.058140	120.7
[M+HCOO]-	165.059081	140.3
[M+CH3COO]-	179.074731	167.7
[M+Na-2H]-	141.035546	128.5
[M]+	120.06033142	126.5
[M]-	120.06142858	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe