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

99
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

literature stripe

Patent stripe

patents stripe