CID 115819

64131-26-6

Structural Information

Molecular Formula

C₁₁H₂₂O₅S

SMILES

CCCCCCCCC(C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C11H22O5S/c1-3-4-5-6-7-8-9-10(11(12)16-2)17(13,14)15/h10H,3-9H2,1-2H3,(H,13,14,15)

InChIKey

QURGWARQWBLYFU-UHFFFAOYSA-N

Compound name

1-methoxy-1-oxodecane-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 266.1188 Da
Monoisotopic Mass: 3.0
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]+	267.126076	161.1
[M+Na]+	289.108018	165.9
[M-H]-	265.111524	159.3
[M+NH4]+	284.152623	177.3
[M+K]+	305.081958	164.3
[M+H-H2O]+	249.116060	155.7
[M+HCOO]-	311.117001	174.5
[M+CH3COO]-	325.132651	192.1
[M+Na-2H]-	287.093466	160.7
[M]+	266.11825142	167.7
[M]-	266.11934858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe