CID 171360

Albicanol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CO)(C)C
InChI
InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,15+/m0/s1
InChIKey
ZPTSRWNMMWXEHX-KCQAQPDRSA-N
Compound name
[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

86
Patents

222.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 153.5
[M+Na]+ 245.18758 159.4
[M-H]- 221.19108 155.9
[M+NH4]+ 240.23218 176.7
[M+K]+ 261.16152 155.7
[M+H-H2O]+ 205.19562 149.2
[M+HCOO]- 267.19656 167.5
[M+CH3COO]- 281.21221 190.0
[M+Na-2H]- 243.17303 156.5
[M]+ 222.19781 147.8
[M]- 222.19891 147.8
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.