CID 3039697

Sulglycapin

Structural Information

Molecular Formula

C₉H₁₈N₂O₄S

SMILES

CNS(=O)(=O)OCC(=O)N1CCCCCC1

InChI

InChI=1S/C9H18N2O4S/c1-10-16(13,14)15-8-9(12)11-6-4-2-3-5-7-11/h10H,2-8H2,1H3

InChIKey

OTSYOPHQYHLKTK-UHFFFAOYSA-N

Compound name

[2-(azepan-1-yl)-2-oxoethyl] N-methylsulfamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3808
Patents: 250.09872 Da
Monoisotopic Mass: 0.1
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]+	251.10600	154.2
[M+Na]+	273.08794	158.9
[M+NH4]+	268.13254	158.9
[M+K]+	289.06188	155.8
[M-H]-	249.09144	152.6
[M+Na-2H]-	271.07339	156.0
[M]+	250.09817	154.4
[M]-	250.09927	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe