CID 1797751

61370-75-0

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC1(CCC2=C(O1)C=CC(=C2)C=O)C

InChI

InChI=1S/C12H14O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-4,7-8H,5-6H2,1-2H3

InChIKey

IDUKOSGEQABOGY-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3,4-dihydrochromene-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 190.09938 Da
Monoisotopic Mass: 2.4
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]+	191.10666	140.0
[M+Na]+	213.08860	154.1
[M+NH4]+	208.13320	151.1
[M+K]+	229.06254	145.1
[M-H]-	189.09210	144.5
[M+Na-2H]-	211.07405	147.6
[M]+	190.09883	143.6
[M]-	190.09993	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe