CID 3044614

57543-61-0

Structural Information

Molecular Formula
C13H14O4
SMILES
CCOC(=O)C1=CC2=C(C=CC(=C2)OC)OC1
InChI
InChI=1S/C13H14O4/c1-3-16-13(14)10-6-9-7-11(15-2)4-5-12(9)17-8-10/h4-7H,3,8H2,1-2H3
InChIKey
QNUWBOZJFBGFBG-UHFFFAOYSA-N
Compound name
ethyl 6-methoxy-2H-chromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.096476 149.2
[M+Na]+ 257.078418 157.1
[M-H]- 233.081924 154.5
[M+NH4]+ 252.123023 167.0
[M+K]+ 273.052358 156.8
[M+H-H2O]+ 217.086460 142.7
[M+HCOO]- 279.087401 170.1
[M+CH3COO]- 293.103051 191.0
[M+Na-2H]- 255.063866 155.9
[M]+ 234.08865142 153.7
[M]- 234.08974858 153.7
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.