CID 13338717

14967-17-0

Structural Information

Molecular Formula

SMILES

CC(C)(CS)O

InChI

InChI=1S/C4H10OS/c1-4(2,5)3-6/h5-6H,3H2,1-2H3

InChIKey

FEMWXGBGVVJDFO-UHFFFAOYSA-N

Compound name

2-methyl-1-sulfanylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 446
Patents: 106.045235 Da
Monoisotopic Mass: 0.4
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]+	107.05251	119.9
[M+Na]+	129.03445	128.0
[M-H]-	105.03796	119.6
[M+NH4]+	124.07906	143.1
[M+K]+	145.00839	127.2
[M+H-H2O]+	89.042495	116.4
[M+HCOO]-	151.04344	136.1
[M+CH3COO]-	165.05909	164.7
[M+Na-2H]-	127.01990	124.5
[M]+	106.04469	121.6
[M]-	106.04578	121.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe