CID 8904

Decyl hydrogen sulfate

Structural Information

Molecular Formula

C₁₀H₂₂O₄S

SMILES

CCCCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C10H22O4S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H,11,12,13)

InChIKey

CSMFSDCPJHNZRY-UHFFFAOYSA-N

Compound name

decyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 52
References: 8867
Patents: 238.12389 Da
Monoisotopic Mass: 3.7
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]+	239.13117	155.0
[M+Na]+	261.11311	160.6
[M-H]-	237.11661	153.2
[M+NH4]+	256.15771	172.5
[M+K]+	277.08705	158.2
[M+H-H2O]+	221.12115	149.6
[M+HCOO]-	283.12209	170.3
[M+CH3COO]-	297.13774	187.0
[M+Na-2H]-	259.09856	156.9
[M]+	238.12334	161.7
[M]-	238.12444	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe