CID 61322

4,5'-dimethylangelicin plus ultraviolet a radiation

Structural Information

Molecular Formula
C13H10O3
SMILES
CC1=CC(=O)OC2=C1C=CC3=C2C=C(O3)C
InChI
InChI=1S/C13H10O3/c1-7-5-12(14)16-13-9(7)3-4-11-10(13)6-8(2)15-11/h3-6H,1-2H3
InChIKey
PFFGIQUVLUEURV-UHFFFAOYSA-N
Compound name
4,8-dimethylfuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

126
Patents

214.06299 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07027 140.6
[M+Na]+ 237.05221 154.3
[M-H]- 213.05571 149.4
[M+NH4]+ 232.09681 161.7
[M+K]+ 253.02615 152.9
[M+H-H2O]+ 197.06025 135.8
[M+HCOO]- 259.06119 164.7
[M+CH3COO]- 273.07684 156.8
[M+Na-2H]- 235.03766 150.0
[M]+ 214.06244 148.2
[M]- 214.06354 148.2
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