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]+ 219.174346 145.0
[M+Na]+ 241.156288 154.3
[M-H]- 217.159794 152.4
[M+NH4]+ 236.200893 165.4
[M+K]+ 257.130228 152.8
[M+H-H2O]+ 201.164330 142.1
[M+HCOO]- 263.165271 162.0
[M+CH3COO]- 277.180921 157.7
[M+Na-2H]- 239.141736 148.9
[M]+ 218.16652142 145.5
[M]- 218.16761858 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

literature stripe

Patent stripe

No patent data available for this compound.