CID 361660

Nsc624878

Structural Information

Molecular Formula
C15H16O4
SMILES
CCOC(=O)C1=C2CCCC3=C(C=CC(=C32)O1)OC
InChI
InChI=1S/C15H16O4/c1-3-18-15(16)14-10-6-4-5-9-11(17-2)7-8-12(19-14)13(9)10/h7-8H,3-6H2,1-2H3
InChIKey
NGUJIGPABZYOJY-UHFFFAOYSA-N
Compound name
ethyl 9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 156.4
[M+Na]+ 283.09408 165.4
[M-H]- 259.09758 162.2
[M+NH4]+ 278.13868 176.4
[M+K]+ 299.06802 164.1
[M+H-H2O]+ 243.10212 150.7
[M+HCOO]- 305.10306 177.0
[M+CH3COO]- 319.11871 197.1
[M+Na-2H]- 281.07953 162.1
[M]+ 260.10431 163.3
[M]- 260.10541 163.3
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.