CID 127846

Ethoxyprecocene

Structural Information

Molecular Formula

C₁₄H₁₈O₃

SMILES

CCOC1=C(C=C2C=CC(OC2=C1)(C)C)OC

InChI

InChI=1S/C14H18O3/c1-5-16-13-9-11-10(8-12(13)15-4)6-7-14(2,3)17-11/h6-9H,5H2,1-4H3

InChIKey

RFJPSAYWKBGVAW-UHFFFAOYSA-N

Compound name

7-ethoxy-6-methoxy-2,2-dimethylchromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 4882
Patents: 234.1256 Da
Monoisotopic Mass: 3.2
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]+	235.132876	150.7
[M+Na]+	257.114818	160.2
[M-H]-	233.118324	156.5
[M+NH4]+	252.159423	171.1
[M+K]+	273.088758	159.5
[M+H-H2O]+	217.122860	144.9
[M+HCOO]-	279.123801	171.9
[M+CH3COO]-	293.139451	193.2
[M+Na-2H]-	255.100266	158.6
[M]+	234.12505142	156.3
[M]-	234.12614858	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe