CID 21676181

Alpha,alpha-dimethylallylcyclolobin

Structural Information

Molecular Formula
C21H24O5
SMILES
CC(C)(C=C)C1=C(C(=C(C(=C1)C2CC3=C(C=C(C=C3)O)OC2)OC)O)O
InChI
InChI=1S/C21H24O5/c1-5-21(2,3)16-10-15(20(25-4)19(24)18(16)23)13-8-12-6-7-14(22)9-17(12)26-11-13/h5-7,9-10,13,22-24H,1,8,11H2,2-4H3
InChIKey
MJNMCRGAYOIQTB-UHFFFAOYSA-N
Compound name
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-3-methoxy-6-(2-methylbut-3-en-2-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.16238 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 185.3
[M+Na]+ 379.15160 192.5
[M-H]- 355.15510 189.9
[M+NH4]+ 374.19620 196.3
[M+K]+ 395.12554 188.9
[M+H-H2O]+ 339.15964 178.2
[M+HCOO]- 401.16058 198.0
[M+CH3COO]- 415.17623 212.2
[M+Na-2H]- 377.13705 187.3
[M]+ 356.16183 186.3
[M]- 356.16293 186.3
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

patents stripe