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]+ 247.09648 152.3
[M+Na]+ 269.07842 161.5
[M-H]- 245.08192 160.7
[M+NH4]+ 264.12302 170.5
[M+K]+ 285.05236 161.0
[M+H-H2O]+ 229.08646 146.1
[M+HCOO]- 291.08740 176.7
[M+CH3COO]- 305.10305 193.6
[M+Na-2H]- 267.06387 155.7
[M]+ 246.08865 158.5
[M]- 246.08975 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.