CID 77611

3993-45-1

Structural Information

Molecular Formula
C16H16O4
SMILES
CC1=CC(=O)OC2=C1C=C(C(=C2C)OC(=O)C)CC=C
InChI
InChI=1S/C16H16O4/c1-5-6-12-8-13-9(2)7-14(18)20-16(13)10(3)15(12)19-11(4)17/h5,7-8H,1,6H2,2-4H3
InChIKey
WPXKHUHUPSKNMM-UHFFFAOYSA-N
Compound name
(4,8-dimethyl-2-oxo-6-prop-2-enylchromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

272.10486 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 157.9
[M+Na]+ 295.09408 168.9
[M-H]- 271.09758 164.3
[M+NH4]+ 290.13868 175.0
[M+K]+ 311.06802 166.7
[M+H-H2O]+ 255.10212 151.6
[M+HCOO]- 317.10306 179.5
[M+CH3COO]- 331.11871 202.0
[M+Na-2H]- 293.07953 162.1
[M]+ 272.10431 164.7
[M]- 272.10541 164.7
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