CID 854571

3,4-dimethyl-9,10-dihydrocyclopenta[c]furo[2,3-f]chromen-7(8h)-one

Structural Information

Molecular Formula
C16H14O3
SMILES
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C4=C1C(=CO4)C
InChI
InChI=1S/C16H14O3/c1-8-6-12-14(15-13(8)9(2)7-18-15)10-4-3-5-11(10)16(17)19-12/h6-7H,3-5H2,1-2H3
InChIKey
MEDBZLODHWAXID-UHFFFAOYSA-N
Compound name
5,7-dimethyl-3,10-dioxatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),4,7,12(16)-pentaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.101576 153.2
[M+Na]+ 277.083518 166.5
[M-H]- 253.087024 162.8
[M+NH4]+ 272.128123 175.4
[M+K]+ 293.057458 164.0
[M+H-H2O]+ 237.091560 149.4
[M+HCOO]- 299.092501 175.2
[M+CH3COO]- 313.108151 168.6
[M+Na-2H]- 275.068966 158.9
[M]+ 254.09375142 160.3
[M]- 254.09484858 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

literature stripe

Patent stripe

No patent data available for this compound.