CID 14134311

Dihydrocoriandrin

Structural Information

Molecular Formula
C13H12O4
SMILES
CC1CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC
InChI
InChI=1S/C13H12O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-4,6-7H,5H2,1-2H3
InChIKey
LJCCQQNTPLPSNX-UHFFFAOYSA-N
Compound name
4-methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

232.07356 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 145.5
[M+Na]+ 255.06278 156.9
[M-H]- 231.06628 153.4
[M+NH4]+ 250.10738 165.5
[M+K]+ 271.03672 156.4
[M+H-H2O]+ 215.07082 140.5
[M+HCOO]- 277.07176 166.9
[M+CH3COO]- 291.08741 160.5
[M+Na-2H]- 253.04823 153.2
[M]+ 232.07301 151.7
[M]- 232.07411 151.7
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

No patent data available for this compound.