CID 137832720

2241139-21-7

Structural Information

Molecular Formula
C14H11NO4
SMILES
COC1=NC=C(C=C1)C2=C3C(=CC(=C2)C=O)OCO3
InChI
InChI=1S/C14H11NO4/c1-17-13-3-2-10(6-15-13)11-4-9(7-16)5-12-14(11)19-8-18-12/h2-7H,8H2,1H3
InChIKey
XDDURXTUGUDEBU-UHFFFAOYSA-N
Compound name
7-(6-methoxypyridin-3-yl)-1,3-benzodioxole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.06882 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 153.8
[M+Na]+ 280.05804 163.8
[M-H]- 256.06154 162.1
[M+NH4]+ 275.10264 169.6
[M+K]+ 296.03198 163.1
[M+H-H2O]+ 240.06608 146.6
[M+HCOO]- 302.06702 175.2
[M+CH3COO]- 316.08267 167.5
[M+Na-2H]- 278.04349 160.5
[M]+ 257.06827 159.0
[M]- 257.06937 159.0
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.