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]+ 245.11722 152.0
[M+Na]+ 267.09916 161.6
[M-H]- 243.10266 158.5
[M+NH4]+ 262.14376 172.5
[M+K]+ 283.07310 159.0
[M+H-H2O]+ 227.10720 146.3
[M+HCOO]- 289.10814 173.5
[M+CH3COO]- 303.12379 193.6
[M+Na-2H]- 265.08461 158.4
[M]+ 244.10939 156.3
[M]- 244.11049 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.