CID 19420963

1461727-03-6

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

COC1=CC2=C(C/C(=C/O)/C2=O)C=C1

InChI

InChI=1S/C11H10O3/c1-14-9-3-2-7-4-8(6-12)11(13)10(7)5-9/h2-3,5-6,12H,4H2,1H3/b8-6-

InChIKey

LNSBRXNYSHWXSN-VURMDHGXSA-N

Compound name

(2Z)-2-(hydroxymethylidene)-6-methoxy-3H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 190.06299 Da
Monoisotopic Mass: 2.1
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]+	191.07027	139.1
[M+Na]+	213.05221	150.9
[M+NH4]+	208.09681	147.3
[M+K]+	229.02615	146.6
[M-H]-	189.05571	140.1
[M+Na-2H]-	211.03766	143.1
[M]+	190.06244	140.8
[M]-	190.06354	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe