CID 176454295

4-hydroxyafricanol

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

C[C@H]1C(C[C@@H]2[C@]1(CC(C[C@@H]3[C@]2(C3)C)(C)C)O)O

InChI

InChI=1S/C15H26O2/c1-9-11(16)5-12-14(4)7-10(14)6-13(2,3)8-15(9,12)17/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11?,12-,14+,15+/m0/s1

InChIKey

XAXQEYAMKZEAQC-QPKQRYRZSA-N

Compound name

(1aS,4aS,5S,7aS,7bR)-3,3,5,7b-tetramethyl-1,1a,2,4,5,6,7,7a-octahydrocyclopropa[h]azulene-4a,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.19328 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.200556	149.7
[M+Na]+	261.182498	157.8
[M-H]-	237.186004	154.3
[M+NH4]+	256.227103	169.7
[M+K]+	277.156438	156.2
[M+H-H2O]+	221.190540	147.9
[M+HCOO]-	283.191481	162.1
[M+CH3COO]-	297.207131	195.2
[M+Na-2H]-	259.167946	153.3
[M]+	238.19273142	148.3
[M]-	238.19382858	148.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.