CID 7172314

677299-77-3

Structural Information

Molecular Formula
C14H14O4
SMILES
CC1=CC=C(O1)C(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C14H14O4/c1-9-4-6-12(18-9)14(15)10-5-7-11(16-2)13(8-10)17-3/h4-8H,1-3H3
InChIKey
QNZRLLCSEIUYQA-UHFFFAOYSA-N
Compound name
(3,4-dimethoxyphenyl)-(5-methylfuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.096476 152.3
[M+Na]+ 269.078418 161.5
[M-H]- 245.081924 160.7
[M+NH4]+ 264.123023 170.5
[M+K]+ 285.052358 161.0
[M+H-H2O]+ 229.086460 146.1
[M+HCOO]- 291.087401 176.7
[M+CH3COO]- 305.103051 193.6
[M+Na-2H]- 267.063866 155.7
[M]+ 246.08865142 158.5
[M]- 246.08974858 158.5
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.