CID 342652

84229-44-7

Structural Information

Molecular Formula
C15H14O4
SMILES
C1CC2=C(C1)OC3=C(C2=O)C=CC(=C3)OCC4CO4
InChI
InChI=1S/C15H14O4/c16-15-11-2-1-3-13(11)19-14-6-9(4-5-12(14)15)17-7-10-8-18-10/h4-6,10H,1-3,7-8H2
InChIKey
QBJYPNNFXLNYRS-UHFFFAOYSA-N
Compound name
6-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 153.0
[M+Na]+ 281.07842 164.5
[M-H]- 257.08192 163.8
[M+NH4]+ 276.12302 166.5
[M+K]+ 297.05236 162.7
[M+H-H2O]+ 241.08646 146.9
[M+HCOO]- 303.08740 173.3
[M+CH3COO]- 317.10305 166.6
[M+Na-2H]- 279.06387 160.2
[M]+ 258.08865 160.3
[M]- 258.08975 160.3
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.