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

1
References

16
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

literature stripe

Patent stripe

patents stripe