CID 24761

2-dodecoxyethyl hydrogen sulfate

Structural Information

Molecular Formula

C₁₄H₃₀O₅S

SMILES

CCCCCCCCCCCCOCCOS(=O)(=O)O

InChI

InChI=1S/C14H30O5S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17/h2-14H2,1H3,(H,15,16,17)

InChIKey

QTDIEDOANJISNP-UHFFFAOYSA-N

Compound name

2-dodecoxyethyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 38
References: 9664
Patents: 310.1814 Da
Monoisotopic Mass: 4.6
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]+	311.18868	175.1
[M+Na]+	333.17062	178.7
[M-H]-	309.17412	172.5
[M+NH4]+	328.21522	189.6
[M+K]+	349.14456	175.9
[M+H-H2O]+	293.17866	168.7
[M+HCOO]-	355.17960	189.4
[M+CH3COO]-	369.19525	200.9
[M+Na-2H]-	331.15607	175.4
[M]+	310.18085	184.8
[M]-	310.18195	184.8

Literature stripe

literature stripe

Patent stripe

patents stripe