CID 381508

Nsc668264

Structural Information

Molecular Formula
C19H20O5
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3(CC(=C)C(=O)O3)C)C
InChI
InChI=1S/C19H20O5/c1-10-8-19(5,24-17(10)20)9-22-15-7-6-14-11(2)12(3)18(21)23-16(14)13(15)4/h6-7H,1,8-9H2,2-5H3
InChIKey
ZTAQZLVRTRINNV-UHFFFAOYSA-N
Compound name
3,4,8-trimethyl-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

328.13107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 171.4
[M+Na]+ 351.12029 183.2
[M-H]- 327.12379 181.8
[M+NH4]+ 346.16489 188.7
[M+K]+ 367.09423 181.5
[M+H-H2O]+ 311.12833 166.0
[M+HCOO]- 373.12927 191.3
[M+CH3COO]- 387.14492 212.0
[M+Na-2H]- 349.10574 173.9
[M]+ 328.13052 178.5
[M]- 328.13162 178.5
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.