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]+ 235.09648 149.2
[M+Na]+ 257.07842 157.1
[M-H]- 233.08192 154.5
[M+NH4]+ 252.12302 167.0
[M+K]+ 273.05236 156.8
[M+H-H2O]+ 217.08646 142.7
[M+HCOO]- 279.08740 170.1
[M+CH3COO]- 293.10305 191.0
[M+Na-2H]- 255.06387 155.9
[M]+ 234.08865 153.7
[M]- 234.08975 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.