CID 62267

5-methylangelicin

Structural Information

Molecular Formula
C12H8O3
SMILES
CC1=CC2=C(C=CO2)C3=C1C=CC(=O)O3
InChI
InChI=1S/C12H8O3/c1-7-6-10-9(4-5-14-10)12-8(7)2-3-11(13)15-12/h2-6H,1H3
InChIKey
ZJVOHJVSTORGLI-UHFFFAOYSA-N
Compound name
5-methylfuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

90
Patents

200.04735 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05463 135.6
[M+Na]+ 223.03657 148.9
[M-H]- 199.04007 144.2
[M+NH4]+ 218.08117 157.0
[M+K]+ 239.01051 147.7
[M+H-H2O]+ 183.04461 130.8
[M+HCOO]- 245.04555 160.1
[M+CH3COO]- 259.06120 152.0
[M+Na-2H]- 221.02202 146.3
[M]+ 200.04680 142.5
[M]- 200.04790 142.5
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

No patent data available for this compound.