CID 14565572

Epioxylubimin

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1C(C(CC(C12CCC(C2)C(=C)C)C=O)O)O
InChI
InChI=1S/C15H24O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h8,10-14,17-18H,1,4-7H2,2-3H3
InChIKey
YIGYYGXJIDAEOF-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

252.17255 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.179826 160.0
[M+Na]+ 275.161768 165.7
[M-H]- 251.165274 162.5
[M+NH4]+ 270.206373 180.3
[M+K]+ 291.135708 161.8
[M+H-H2O]+ 235.169810 156.1
[M+HCOO]- 297.170751 174.4
[M+CH3COO]- 311.186401 191.7
[M+Na-2H]- 273.147216 157.5
[M]+ 252.17200142 154.3
[M]- 252.17309858 154.3
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

patents stripe