CID 29052

18385-84-7

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

COC1=CC2=C(C=C1)OCC=C2

InChI

InChI=1S/C10H10O2/c1-11-9-4-5-10-8(7-9)3-2-6-12-10/h2-5,7H,6H2,1H3

InChIKey

LMCDFCKWRNBXBB-UHFFFAOYSA-N

Compound name

6-methoxy-2H-chromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 162.06808 Da
Monoisotopic Mass: 2.2
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]+	163.075356	129.6
[M+Na]+	185.057298	138.1
[M-H]-	161.060804	135.0
[M+NH4]+	180.101903	150.3
[M+K]+	201.031238	137.5
[M+H-H2O]+	145.065340	123.9
[M+HCOO]-	207.066281	152.0
[M+CH3COO]-	221.081931	177.2
[M+Na-2H]-	183.042746	139.9
[M]+	162.06753142	131.1
[M]-	162.06862858	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe