CID 361584

Nsc624765

Structural Information

Molecular Formula
C15H16O4
SMILES
COC1=C2C3=C(CCC(C3=CO2)CCC(=O)O)C=C1
InChI
InChI=1S/C15H16O4/c1-18-12-6-4-10-3-2-9(5-7-13(16)17)11-8-19-15(12)14(10)11/h4,6,8-9H,2-3,5,7H2,1H3,(H,16,17)
InChIKey
GAMAFQOPMISSCA-UHFFFAOYSA-N
Compound name
3-(11-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 156.6
[M+Na]+ 283.09408 165.0
[M-H]- 259.09758 161.0
[M+NH4]+ 278.13868 175.8
[M+K]+ 299.06802 162.9
[M+H-H2O]+ 243.10212 151.1
[M+HCOO]- 305.10306 175.6
[M+CH3COO]- 319.11871 195.3
[M+Na-2H]- 281.07953 161.8
[M]+ 260.10431 161.7
[M]- 260.10541 161.7
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.