CID 519442

175205-10-4

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

COCC1=CC(=O)OC2=C1C=CC(=C2)N

InChI

InChI=1S/C11H11NO3/c1-14-6-7-4-11(13)15-10-5-8(12)2-3-9(7)10/h2-5H,6,12H2,1H3

InChIKey

QZZLLHOMMCKWIQ-UHFFFAOYSA-N

Compound name

7-amino-4-(methoxymethyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 205.0739 Da
Monoisotopic Mass: 0.9
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]+	206.08118	140.5
[M+Na]+	228.06312	150.7
[M-H]-	204.06662	146.2
[M+NH4]+	223.10772	159.3
[M+K]+	244.03706	149.2
[M+H-H2O]+	188.07116	134.2
[M+HCOO]-	250.07210	164.6
[M+CH3COO]-	264.08775	188.0
[M+Na-2H]-	226.04857	149.0
[M]+	205.07335	143.6
[M]-	205.07445	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe