CID 122706113

12,13-epoxy-9,10-trichoene-2-ol

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=CC[C@@](CC1)(C)[C@]2(CC(CC23CO3)O)C
InChI
InChI=1S/C15H24O2/c1-11-4-6-13(2,7-5-11)14(3)8-12(16)9-15(14)10-17-15/h4,12,16H,5-10H2,1-3H3/t12?,13-,14-,15?/m1/s1
InChIKey
OUMLCLRVFWXQRX-PIOWNMBXSA-N
Compound name
(4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 152.3
[M+Na]+ 259.166848 160.9
[M-H]- 235.170354 161.2
[M+NH4]+ 254.211453 171.3
[M+K]+ 275.140788 160.7
[M+H-H2O]+ 219.174890 148.9
[M+HCOO]- 281.175831 168.4
[M+CH3COO]- 295.191481 164.7
[M+Na-2H]- 257.152296 157.2
[M]+ 236.17708142 153.0
[M]- 236.17817858 153.0
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.