CID 10877889

2,2-dimethyl-2h-chromene-6-carbaldehyde

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

CC1(C=CC2=C(O1)C=CC(=C2)C=O)C

InChI

InChI=1S/C12H12O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-8H,1-2H3

InChIKey

ZDSKIIMVDTYOLV-UHFFFAOYSA-N

Compound name

2,2-dimethylchromene-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 53
Patents: 188.08372 Da
Monoisotopic Mass: 2.8
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]+	189.09100	138.3
[M+Na]+	211.07294	153.3
[M+NH4]+	206.11754	149.5
[M+K]+	227.04688	144.1
[M-H]-	187.07644	143.0
[M+Na-2H]-	209.05839	146.8
[M]+	188.08317	142.2
[M]-	188.08427	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe