CID 381513

Nsc668269

Structural Information

Molecular Formula
C16H14O5
SMILES
CC1(CC(=C)C(=O)O1)COC2=CC(=O)OC3=CC=CC=C32
InChI
InChI=1S/C16H14O5/c1-10-8-16(2,21-15(10)18)9-19-13-7-14(17)20-12-6-4-3-5-11(12)13/h3-7H,1,8-9H2,2H3
InChIKey
KKIQVSBZFBKASX-UHFFFAOYSA-N
Compound name
4-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.08414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 159.4
[M+Na]+ 309.07336 169.9
[M-H]- 285.07686 169.3
[M+NH4]+ 304.11796 177.6
[M+K]+ 325.04730 168.7
[M+H-H2O]+ 269.08140 153.7
[M+HCOO]- 331.08234 180.6
[M+CH3COO]- 345.09799 199.1
[M+Na-2H]- 307.05881 165.3
[M]+ 286.08359 164.3
[M]- 286.08469 164.3
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

patents stripe