CID 3043895

Pr alcohol

Structural Information

Molecular Formula
C15H18O5
SMILES
C[C@H]1[C@H]([C@@H]2[C@@H](O2)C3=CC(=O)C4(CC13C)[C@@](O4)(C)C=O)O
InChI
InChI=1S/C15H18O5/c1-7-10(18)12-11(19-12)8-4-9(17)15(5-13(7,8)2)14(3,6-16)20-15/h4,6-7,10-12,18H,5H2,1-3H3/t7-,10+,11-,12+,13?,14+,15?/m0/s1
InChIKey
JEEVPUIUWRQPCU-ZBEIYLNJSA-N
Compound name
(1aR,2R,2'S,3R,7bS)-2-hydroxy-2',3,3a-trimethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,3'-oxirane]-2'-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.11542 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12270 145.8
[M+Na]+ 301.10464 159.5
[M+NH4]+ 296.14924 157.6
[M+K]+ 317.07858 154.5
[M-H]- 277.10814 162.7
[M+Na-2H]- 299.09009 156.4
[M]+ 278.11487 155.2
[M]- 278.11597 155.2
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.