CID 9859866

Coumate

Structural Information

Molecular Formula

C₁₀H₉NO₅S

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)N

InChI

InChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-5-7(2-3-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14)

InChIKey

UFGBGFMPBMEVMI-UHFFFAOYSA-N

Compound name

(4-methyl-2-oxochromen-7-yl) sulfamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 31
References: 178
Patents: 255.02014 Da
Monoisotopic Mass: 1.1
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]+	256.02742	150.9
[M+Na]+	278.00936	163.2
[M+NH4]+	273.05396	157.8
[M+K]+	293.98330	157.4
[M-H]-	254.01286	153.2
[M+Na-2H]-	275.99481	155.6
[M]+	255.01959	153.7
[M]-	255.02069	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe