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]+ 237.18491 152.3
[M+Na]+ 259.16685 160.9
[M-H]- 235.17035 161.2
[M+NH4]+ 254.21145 171.3
[M+K]+ 275.14079 160.7
[M+H-H2O]+ 219.17489 148.9
[M+HCOO]- 281.17583 168.4
[M+CH3COO]- 295.19148 164.7
[M+Na-2H]- 257.15230 157.2
[M]+ 236.17708 153.0
[M]- 236.17818 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.