CID 6430888

227456-27-1

Structural Information

Molecular Formula

SMILES

CCC(C(C)CO)S

InChI

InChI=1S/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3

InChIKey

HABNNYNSJFKZFE-UHFFFAOYSA-N

Compound name

2-methyl-3-sulfanylpentan-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 184
Patents: 134.07654 Da
Monoisotopic Mass: 1.6
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]+	135.08382	129.4
[M+Na]+	157.06576	138.6
[M+NH4]+	152.11036	137.9
[M+K]+	173.03970	132.1
[M-H]-	133.06926	128.8
[M+Na-2H]-	155.05121	131.8
[M]+	134.07599	130.8
[M]-	134.07709	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe