CID 12655619

Ethyl 7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2h-chromene-3-carboxylate

Structural Information

Molecular Formula
C14H16O5
SMILES
CCOC(=O)C1=CC2=C(CC(CC2=O)(C)C)OC1=O
InChI
InChI=1S/C14H16O5/c1-4-18-12(16)9-5-8-10(15)6-14(2,3)7-11(8)19-13(9)17/h5H,4,6-7H2,1-3H3
InChIKey
YXBXDSWZBRMROG-UHFFFAOYSA-N
Compound name
ethyl 7,7-dimethyl-2,5-dioxo-6,8-dihydrochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

264.09976 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10704 152.9
[M+Na]+ 287.08898 162.7
[M-H]- 263.09248 158.8
[M+NH4]+ 282.13358 171.9
[M+K]+ 303.06292 162.2
[M+H-H2O]+ 247.09702 147.5
[M+HCOO]- 309.09796 172.5
[M+CH3COO]- 323.11361 197.2
[M+Na-2H]- 285.07443 158.5
[M]+ 264.09921 157.7
[M]- 264.10031 157.7
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