CID 14237677

Cyclomillinol

Structural Information

Molecular Formula
C20H22O4
SMILES
CC1C(C2=C(O1)C=C3C(=C2)CC(CO3)C4=C(C=C(C=C4)O)O)(C)C
InChI
InChI=1S/C20H22O4/c1-11-20(2,3)16-7-12-6-13(10-23-18(12)9-19(16)24-11)15-5-4-14(21)8-17(15)22/h4-5,7-9,11,13,21-22H,6,10H2,1-3H3
InChIKey
ANHPMZQXTAKLGG-UHFFFAOYSA-N
Compound name
4-(2,3,3-trimethyl-2,5,6,7-tetrahydrofuro[3,2-g]chromen-6-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15908 176.5
[M+Na]+ 349.14102 185.8
[M-H]- 325.14452 184.5
[M+NH4]+ 344.18562 193.2
[M+K]+ 365.11496 182.9
[M+H-H2O]+ 309.14906 170.5
[M+HCOO]- 371.15000 190.5
[M+CH3COO]- 385.16565 187.9
[M+Na-2H]- 347.12647 179.3
[M]+ 326.15125 177.9
[M]- 326.15235 177.9
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

No patent data available for this compound.