CID 12351200

1,11-undecanedithiol

Structural Information

Molecular Formula

C₁₁H₂₄S₂

SMILES

C(CCCCCS)CCCCCS

InChI

InChI=1S/C11H24S2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

InChIKey

ODMTYGIDMVZUER-UHFFFAOYSA-N

Compound name

undecane-1,11-dithiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 580
Patents: 220.13194 Da
Monoisotopic Mass: 4.9
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]+	221.13922	149.2
[M+Na]+	243.12116	154.3
[M-H]-	219.12466	148.5
[M+NH4]+	238.16576	168.5
[M+K]+	259.09510	150.3
[M+H-H2O]+	203.12920	143.2
[M+HCOO]-	265.13014	160.0
[M+CH3COO]-	279.14579	191.1
[M+Na-2H]-	241.10661	147.7
[M]+	220.13139	154.9
[M]-	220.13249	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe