CID 594227

17937-04-1

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

CC1=CC(OC2=CC=CC=C12)(C)C

InChI

InChI=1S/C12H14O/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8H,1-3H3

InChIKey

AYIMZUACXYLOTJ-UHFFFAOYSA-N

Compound name

2,2,4-trimethylchromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 174.10446 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]+	175.111736	135.0
[M+Na]+	197.093678	144.7
[M-H]-	173.097184	141.0
[M+NH4]+	192.138283	157.8
[M+K]+	213.067618	143.3
[M+H-H2O]+	157.101720	129.9
[M+HCOO]-	219.102661	156.6
[M+CH3COO]-	233.118311	181.9
[M+Na-2H]-	195.079126	144.6
[M]+	174.10391142	136.6
[M]-	174.10500858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe