CID 11020495

(+)-isoafricanol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1CC[C@@H]2[C@]1(CC(C[C@@H]3[C@]2(C3)C)(C)C)O
InChI
InChI=1S/C15H26O/c1-10-5-6-12-14(4)8-11(14)7-13(2,3)9-15(10,12)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14-,15-/m1/s1
InChIKey
KVFZUTBKAXAVDX-CYHVGBIXSA-N
Compound name
(1aS,4aR,5R,7aS,7bR)-3,3,5,7b-tetramethyl-1,1a,2,4,5,6,7,7a-octahydrocyclopropa[h]azulen-4a-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

23
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 147.8
[M+Na]+ 245.18758 155.5
[M-H]- 221.19108 153.4
[M+NH4]+ 240.23218 168.7
[M+K]+ 261.16152 154.1
[M+H-H2O]+ 205.19562 145.2
[M+HCOO]- 267.19656 161.5
[M+CH3COO]- 281.21221 159.2
[M+Na-2H]- 243.17303 151.9
[M]+ 222.19781 146.1
[M]- 222.19891 146.1
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.