CID 1653772

7-propoxy-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C15H16O3
SMILES
CCCOC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2
InChI
InChI=1S/C15H16O3/c1-2-8-17-10-6-7-12-11-4-3-5-13(11)15(16)18-14(12)9-10/h6-7,9H,2-5,8H2,1H3
InChIKey
LLKFEWYDEXDGGJ-UHFFFAOYSA-N
Compound name
7-propoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

244.10994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.117216 152.0
[M+Na]+ 267.099158 161.6
[M-H]- 243.102664 158.5
[M+NH4]+ 262.143763 172.5
[M+K]+ 283.073098 159.0
[M+H-H2O]+ 227.107200 146.3
[M+HCOO]- 289.108141 173.5
[M+CH3COO]- 303.123791 193.6
[M+Na-2H]- 265.084606 158.4
[M]+ 244.10939142 156.3
[M]- 244.11048858 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.