CID 57355117

Bis(11-azidoundecyl) disulfide

Structural Information

Molecular Formula

C₂₂H₄₄N₆S₂

SMILES

C(CCCCCN=[N+]=[N-])CCCCCSSCCCCCCCCCCCN=[N+]=[N-]

InChI

InChI=1S/C22H44N6S2/c23-27-25-19-15-11-7-3-1-5-9-13-17-21-29-30-22-18-14-10-6-2-4-8-12-16-20-26-28-24/h1-22H2

InChIKey

GIGNSCLNVXDBBG-UHFFFAOYSA-N

Compound name

1-azido-11-(11-azidoundecyldisulfanyl)undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 456.3069 Da
Monoisotopic Mass: 11.0
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]+	457.314176	302.7
[M+Na]+	479.296118	311.4
[M-H]-	455.299624	292.0
[M+NH4]+	474.340723	300.9
[M+K]+	495.270058	308.0
[M+H-H2O]+	439.304160	283.8
[M+HCOO]-	501.305101	315.2
[M+CH3COO]-	515.320751	243.7
[M+Na-2H]-	477.281566	285.0
[M]+	456.30635142	292.5
[M]-	456.30744858	292.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe