CID 2775

Citropten

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

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

InChI

InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3

InChIKey

NXJCRELRQHZBQA-UHFFFAOYSA-N

Compound name

5,7-dimethoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 64
References: 910
Patents: 206.0579 Da
Monoisotopic Mass: 1.9
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]+	207.065176	137.8
[M+Na]+	229.047118	148.8
[M-H]-	205.050624	144.2
[M+NH4]+	224.091723	157.2
[M+K]+	245.021058	148.4
[M+H-H2O]+	189.055160	131.8
[M+HCOO]-	251.056101	161.8
[M+CH3COO]-	265.071751	185.7
[M+Na-2H]-	227.032566	147.2
[M]+	206.05735142	144.1
[M]-	206.05844858	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe