CID 854734

3,4,8-trimethyl-2-oxo-2h-chromen-7-yl acetate

Structural Information

Molecular Formula
C14H14O4
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)C)C
InChI
InChI=1S/C14H14O4/c1-7-8(2)14(16)18-13-9(3)12(17-10(4)15)6-5-11(7)13/h5-6H,1-4H3
InChIKey
NYHWEIQZVGZLRW-UHFFFAOYSA-N
Compound name
(3,4,8-trimethyl-2-oxochromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

246.0892 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 151.2
[M+Na]+ 269.07842 166.4
[M+NH4]+ 264.12302 159.0
[M+K]+ 285.05236 160.6
[M-H]- 245.08192 154.6
[M+Na-2H]- 267.06387 156.4
[M]+ 246.08865 154.4
[M]- 246.08975 154.4
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