CID 146014903

5-mop 2',3'-epoxide

Structural Information

Molecular Formula
C12H8O5
SMILES
COC1=C2C=CC(=O)OC2=CC3=C1C4C(O4)O3
InChI
InChI=1S/C12H8O5/c1-14-10-5-2-3-8(13)15-6(5)4-7-9(10)11-12(16-7)17-11/h2-4,11-12H,1H3
InChIKey
RFWVPDXUEAKCDE-UHFFFAOYSA-N
Compound name
2-methoxy-5,7,11-trioxatetracyclo[8.4.0.03,8.04,6]tetradeca-1,3(8),9,13-tetraen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.03717 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04445 144.9
[M+Na]+ 255.02639 159.5
[M-H]- 231.02989 155.2
[M+NH4]+ 250.07099 159.7
[M+K]+ 271.00033 159.2
[M+H-H2O]+ 215.03443 139.9
[M+HCOO]- 277.03537 164.5
[M+CH3COO]- 291.05102 160.1
[M+Na-2H]- 253.01184 155.0
[M]+ 232.03662 156.3
[M]- 232.03772 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.