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]+ 255.10158 153.2
[M+Na]+ 277.08352 166.5
[M-H]- 253.08702 162.8
[M+NH4]+ 272.12812 175.4
[M+K]+ 293.05746 164.0
[M+H-H2O]+ 237.09156 149.4
[M+HCOO]- 299.09250 175.2
[M+CH3COO]- 313.10815 168.6
[M+Na-2H]- 275.06897 158.9
[M]+ 254.09375 160.3
[M]- 254.09485 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.