CID 495670

Nsc666109

Structural Information

Molecular Formula
C19H20O5
SMILES
CC1CC(OC1=O)CC2(C(OC3=C2C(=O)OC4=CC=CC=C43)C)C
InChI
InChI=1S/C19H20O5/c1-10-8-12(23-17(10)20)9-19(3)11(2)22-16-13-6-4-5-7-14(13)24-18(21)15(16)19/h4-7,10-12H,8-9H2,1-3H3
InChIKey
ZMKRODNVESYSPD-UHFFFAOYSA-N
Compound name
2,3-dimethyl-3-[(4-methyl-5-oxooxolan-2-yl)methyl]-2H-furo[3,2-c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13107 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 172.8
[M+Na]+ 351.12029 183.8
[M-H]- 327.12379 184.4
[M+NH4]+ 346.16489 191.2
[M+K]+ 367.09423 183.0
[M+H-H2O]+ 311.12833 169.0
[M+HCOO]- 373.12927 190.6
[M+CH3COO]- 387.14492 186.3
[M+Na-2H]- 349.10574 175.3
[M]+ 328.13052 179.0
[M]- 328.13162 179.0
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.