CID 3159685

73615-83-5

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

COC1=C(C=C2CCCC2=C1)C=O

InChI

InChI=1S/C11H12O2/c1-13-11-6-9-4-2-3-8(9)5-10(11)7-12/h5-7H,2-4H2,1H3

InChIKey

DWWCZKVBNWJJHC-UHFFFAOYSA-N

Compound name

6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 233
Patents: 176.08372 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]+	177.09100	136.3
[M+Na]+	199.07294	148.8
[M+NH4]+	194.11754	145.8
[M+K]+	215.04688	143.6
[M-H]-	175.07644	138.6
[M+Na-2H]-	197.05839	141.8
[M]+	176.08317	138.7
[M]-	176.08427	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe