CID 123131560

Schembl20855326

Structural Information

Molecular Formula

C₉H₁₉NO₂S

SMILES

CSCCCCCCC/C=[N+](/O)\[O-]

InChI

InChI=1S/C9H19NO2S/c1-13-9-7-5-3-2-4-6-8-10(11)12/h8H,2-7,9H2,1H3,(H,11,12)

InChIKey

LXZOOYJPYFVQFL-UHFFFAOYSA-N

Compound name

N-hydroxy-8-methylsulfanyloctan-1-imine oxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 205.11365 Da
Monoisotopic Mass: 2.2
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]+	206.12093	148.0
[M+Na]+	228.10287	152.6
[M-H]-	204.10637	146.4
[M+NH4]+	223.14747	166.2
[M+K]+	244.07681	145.6
[M+H-H2O]+	188.11091	147.1
[M+HCOO]-	250.11185	165.1
[M+CH3COO]-	264.12750	178.0
[M+Na-2H]-	226.08832	150.4
[M]+	205.11310	148.9
[M]-	205.11420	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe