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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.