CID 176454297

2-dehydroxy-2-en-4-oxoafricanol

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=C2CC(C[C@H]3C[C@]3([C@@H]2CC1=O)C)(C)C
InChI
InChI=1S/C15H22O/c1-9-11-8-14(2,3)6-10-7-15(10,4)12(11)5-13(9)16/h10,12H,5-8H2,1-4H3/t10-,12+,15+/m0/s1
InChIKey
NPCSZAYCQPFEKB-JVLSTEMRSA-N
Compound name
(1aS,7aS,7bR)-3,3,5,7b-tetramethyl-1,1a,2,4,7,7a-hexahydrocyclopropa[e]azulen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 145.0
[M+Na]+ 241.15629 154.3
[M-H]- 217.15979 152.4
[M+NH4]+ 236.20089 165.4
[M+K]+ 257.13023 152.8
[M+H-H2O]+ 201.16433 142.1
[M+HCOO]- 263.16527 162.0
[M+CH3COO]- 277.18092 157.7
[M+Na-2H]- 239.14174 148.9
[M]+ 218.16652 145.5
[M]- 218.16762 145.5
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.