CID 261824

11-mercapto-1-undecanol

Structural Information

Molecular Formula

C₁₁H₂₄OS

SMILES

C(CCCCCO)CCCCCS

InChI

InChI=1S/C11H24OS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

InChIKey

ULGGZAVAARQJCS-UHFFFAOYSA-N

Compound name

11-sulfanylundecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 98
References: 2374
Patents: 204.15479 Da
Monoisotopic Mass: 4.7
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]+	205.16207	150.1
[M+Na]+	227.14401	158.9
[M+NH4]+	222.18861	158.0
[M+K]+	243.11795	149.7
[M-H]-	203.14751	149.7
[M+Na-2H]-	225.12946	151.9
[M]+	204.15424	151.5
[M]-	204.15534	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe