CID 157010106

9,10,11-trihydroxyumbelliprenin

Structural Information

Molecular Formula
C24H32O6
SMILES
C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CC/C=C(/C)\CC(C(C(C)(C)O)O)O
InChI
InChI=1S/C24H32O6/c1-16(6-5-7-17(2)14-20(25)23(27)24(3,4)28)12-13-29-19-10-8-18-9-11-22(26)30-21(18)15-19/h7-12,15,20,23,25,27-28H,5-6,13-14H2,1-4H3/b16-12+,17-7-
InChIKey
PWGFIVDGCMQGCD-CCMQFXHASA-N
Compound name
7-[(2E,6Z)-9,10,11-trihydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.21988 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.22716 202.6
[M+Na]+ 439.20910 205.0
[M-H]- 415.21260 202.3
[M+NH4]+ 434.25370 210.2
[M+K]+ 455.18304 202.3
[M+H-H2O]+ 399.21714 195.6
[M+HCOO]- 461.21808 212.6
[M+CH3COO]- 475.23373 222.0
[M+Na-2H]- 437.19455 200.9
[M]+ 416.21933 205.8
[M]- 416.22043 205.8
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.