CID 18191

Ammonium tridecyl sulfate

Structural Information

Molecular Formula

C₁₃H₂₈O₄S

SMILES

CCCCCCCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C13H28O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16/h2-13H2,1H3,(H,14,15,16)

InChIKey

QTUIJRIDZOSXHJ-UHFFFAOYSA-N

Compound name

tridecyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 3135
Patents: 280.17084 Da
Monoisotopic Mass: 5.3
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]+	281.17812	168.9
[M+Na]+	303.16006	175.6
[M+NH4]+	298.20466	173.9
[M+K]+	319.13400	168.4
[M-H]-	279.16356	165.6
[M+Na-2H]-	301.14551	168.5
[M]+	280.17029	169.0
[M]-	280.17139	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe