CID 875046

3,4-dimethyl-7-(2-oxopropoxy)-2h-chromen-2-one

Structural Information

Molecular Formula
C14H14O4
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C)C
InChI
InChI=1S/C14H14O4/c1-8(15)7-17-11-4-5-12-9(2)10(3)14(16)18-13(12)6-11/h4-6H,7H2,1-3H3
InChIKey
GWDJHHFMPSBOKF-UHFFFAOYSA-N
Compound name
3,4-dimethyl-7-(2-oxopropoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

246.0892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.096476 150.4
[M+Na]+ 269.078418 161.0
[M-H]- 245.081924 156.7
[M+NH4]+ 264.123023 168.3
[M+K]+ 285.052358 159.8
[M+H-H2O]+ 229.086460 144.2
[M+HCOO]- 291.087401 172.5
[M+CH3COO]- 305.103051 196.2
[M+Na-2H]- 267.063866 156.3
[M]+ 246.08865142 156.9
[M]- 246.08974858 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.