CID 11473265

Crotin

Structural Information

Molecular Formula
C20H20O5
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)CCC3=CC(=C(C=C3)O)O)C
InChI
InChI=1S/C20H20O5/c1-20(2)10-9-14-18(25-20)8-5-13(19(14)24)15(21)6-3-12-4-7-16(22)17(23)11-12/h4-5,7-11,22-24H,3,6H2,1-2H3
InChIKey
VPFUWHKTPYPNGT-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17212
Patents

340.13107 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.7
[M+Na]+ 363.12029 187.9
[M-H]- 339.12379 184.7
[M+NH4]+ 358.16489 193.1
[M+K]+ 379.09423 184.5
[M+H-H2O]+ 323.12833 172.5
[M+HCOO]- 385.12927 194.9
[M+CH3COO]- 399.14492 207.4
[M+Na-2H]- 361.10574 182.8
[M]+ 340.13052 181.7
[M]- 340.13162 181.7
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.