CID 20387185

Schembl11503929

Structural Information

Molecular Formula

C₁₉H₃₈O₃S

SMILES

CCCCCCCCCCCCCCCCC/C=C/S(=O)(=O)O

InChI

InChI=1S/C19H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22/h18-19H,2-17H2,1H3,(H,20,21,22)/b19-18+

InChIKey

BGQRFXSHNZMKHX-VHEBQXMUSA-N

Compound name

(E)-nonadec-1-ene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 346.25418 Da
Monoisotopic Mass: 8.4
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]+	347.261456	189.7
[M+Na]+	369.243398	192.1
[M-H]-	345.246904	186.4
[M+NH4]+	364.288003	203.0
[M+K]+	385.217338	186.4
[M+H-H2O]+	329.251440	183.0
[M+HCOO]-	391.252381	202.2
[M+CH3COO]-	405.268031	210.3
[M+Na-2H]-	367.228846	187.3
[M]+	346.25363142	197.7
[M]-	346.25472858	197.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe