CID 176454296

4-ketoafricanol

Structural Information

Molecular Formula
C15H24O2
SMILES
C[C@H]1C(=O)C[C@@H]2[C@]1(CC(C[C@@H]3[C@]2(C3)C)(C)C)O
InChI
InChI=1S/C15H24O2/c1-9-11(16)5-12-14(4)7-10(14)6-13(2,3)8-15(9,12)17/h9-10,12,17H,5-8H2,1-4H3/t9-,10-,12-,14+,15+/m0/s1
InChIKey
CDLMTCGQINTALG-GSZDYRQJSA-N
Compound name
(1aS,4aS,5R,7aS,7bR)-4a-hydroxy-3,3,5,7b-tetramethyl-1a,2,4,5,7,7a-hexahydro-1H-cyclopropa[e]azulen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 149.4
[M+Na]+ 259.16685 158.1
[M-H]- 235.17035 155.4
[M+NH4]+ 254.21145 170.0
[M+K]+ 275.14079 156.6
[M+H-H2O]+ 219.17489 147.4
[M+HCOO]- 281.17583 163.3
[M+CH3COO]- 295.19148 196.7
[M+Na-2H]- 257.15230 153.3
[M]+ 236.17708 148.9
[M]- 236.17818 148.9
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.