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]+ 247.09648 150.4
[M+Na]+ 269.07842 161.0
[M-H]- 245.08192 156.7
[M+NH4]+ 264.12302 168.3
[M+K]+ 285.05236 159.8
[M+H-H2O]+ 229.08646 144.2
[M+HCOO]- 291.08740 172.5
[M+CH3COO]- 305.10305 196.2
[M+Na-2H]- 267.06387 156.3
[M]+ 246.08865 156.9
[M]- 246.08975 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.