CID 3570295

Anguidol

Structural Information

Molecular Formula
C15H22O5
SMILES
CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)O)C)CO
InChI
InChI=1S/C15H22O5/c1-8-3-4-14(6-16)9(5-8)20-12-10(17)11(18)13(14,2)15(12)7-19-15/h5,9-12,16-18H,3-4,6-7H2,1-2H3
InChIKey
PXEBOIUZEXXBGH-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10,11-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

291
Patents

282.14673 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15401 160.4
[M+Na]+ 305.13595 170.5
[M-H]- 281.13945 165.4
[M+NH4]+ 300.18055 177.5
[M+K]+ 321.10989 169.6
[M+H-H2O]+ 265.14399 157.9
[M+HCOO]- 327.14493 168.7
[M+CH3COO]- 341.16058 171.5
[M+Na-2H]- 303.12140 167.3
[M]+ 282.14618 164.4
[M]- 282.14728 164.4
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