CID 474219

2,11-bis(sulfanyl)undecan-1-ol

Structural Information

Molecular Formula

C₁₁H₂₄OS₂

SMILES

C(CCCCC(CO)S)CCCCS

InChI

InChI=1S/C11H24OS2/c12-10-11(14)8-6-4-2-1-3-5-7-9-13/h11-14H,1-10H2

InChIKey

BUBSDHUORWWPLY-UHFFFAOYSA-N

Compound name

2,11-bis(sulfanyl)undecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 236.12686 Da
Monoisotopic Mass: 3.8
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]+	237.13414	153.9
[M+Na]+	259.11608	158.0
[M-H]-	235.11958	151.6
[M+NH4]+	254.16068	171.6
[M+K]+	275.09002	153.8
[M+H-H2O]+	219.12412	148.0
[M+HCOO]-	281.12506	162.3
[M+CH3COO]-	295.14071	191.0
[M+Na-2H]-	257.10153	151.1
[M]+	236.12631	158.5
[M]-	236.12741	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe