CID 97820

Inulavosin

Structural Information

Molecular Formula
C20H24O2
SMILES
CC1=CC(=C(C=C1)C2(CC(C3=C(O2)C=C(C=C3)C)(C)C)C)O
InChI
InChI=1S/C20H24O2/c1-13-6-8-15(17(21)10-13)20(5)12-19(3,4)16-9-7-14(2)11-18(16)22-20/h6-11,21H,12H2,1-5H3
InChIKey
MXPGQUVVLMPLEC-UHFFFAOYSA-N
Compound name
5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

54
Patents

296.17764 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18492 169.5
[M+Na]+ 319.16686 179.4
[M-H]- 295.17036 177.4
[M+NH4]+ 314.21146 188.8
[M+K]+ 335.14080 176.0
[M+H-H2O]+ 279.17490 162.6
[M+HCOO]- 341.17584 186.8
[M+CH3COO]- 355.19149 181.8
[M+Na-2H]- 317.15231 174.6
[M]+ 296.17709 171.0
[M]- 296.17819 171.0
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