CID 8758226

239136-56-2

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN

InChI

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

InChIKey

JTWMBPZRYBLNNG-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-7-methoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 64
Patents: 205.0739 Da
Monoisotopic Mass: 0.7
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	140.7
[M+Na]+	228.06312	154.9
[M+NH4]+	223.10772	149.2
[M+K]+	244.03706	148.8
[M-H]-	204.06662	145.1
[M+Na-2H]-	226.04857	147.2
[M]+	205.07335	144.0
[M]-	205.07445	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe