CID 381506

Nsc668262

Structural Information

Molecular Formula
C17H16O5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C
InChI
InChI=1S/C17H16O5/c1-10-6-15(18)21-14-7-12(4-5-13(10)14)20-9-17(3)8-11(2)16(19)22-17/h4-7H,2,8-9H2,1,3H3
InChIKey
PSIRVXBTQZTNBX-UHFFFAOYSA-N
Compound name
4-methyl-7-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09976 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 163.5
[M+Na]+ 323.08898 174.5
[M-H]- 299.09248 173.6
[M+NH4]+ 318.13358 181.4
[M+K]+ 339.06292 173.1
[M+H-H2O]+ 283.09702 157.9
[M+HCOO]- 345.09796 184.3
[M+CH3COO]- 359.11361 203.3
[M+Na-2H]- 321.07443 168.3
[M]+ 300.09921 169.2
[M]- 300.10031 169.2
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.