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 149.8
[M+Na]+ 269.07842 161.4
[M-H]- 245.08192 156.6
[M+NH4]+ 264.12302 168.1
[M+K]+ 285.05236 160.3
[M+H-H2O]+ 229.08646 143.9
[M+HCOO]- 291.08740 171.9
[M+CH3COO]- 305.10305 196.8
[M+Na-2H]- 267.06387 155.0
[M]+ 246.08865 156.7
[M]- 246.08975 156.7
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