CID 172777

71317-46-9

Structural Information

Molecular Formula

C₂₆H₅₄O₄S

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C26H54O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27,28)29/h2-26H2,1H3,(H,27,28,29)

InChIKey

UTPTVVAYSIVPFA-UHFFFAOYSA-N

Compound name

hexacosyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 462.37427 Da
Monoisotopic Mass: 12.3
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]+	463.38155	222.7
[M+Na]+	485.36349	221.4
[M-H]-	461.36699	210.6
[M+NH4]+	480.40809	224.6
[M+K]+	501.33743	215.2
[M+H-H2O]+	445.37153	214.3
[M+HCOO]-	507.37247	239.3
[M+CH3COO]-	521.38812	234.1
[M+Na-2H]-	483.34894	217.3
[M]+	462.37372	235.4
[M]-	462.37482	235.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe