CID 91819768

3-hydroxy-15-dihydrolubimin

Structural Information

Molecular Formula
C15H26O3
SMILES
C[C@@H]1[C@H]([C@@H](C[C@@H]([C@]12CC[C@H](C2)C(=C)C)CO)O)O
InChI
InChI=1S/C15H26O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h10-14,16-18H,1,4-8H2,2-3H3/t10-,11-,12-,13-,14-,15+/m1/s1
InChIKey
NPIIWZCGVADPIE-OJVARPOJSA-N
Compound name
(3R,5R,6S,7R,8R,10S)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

254.1882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 162.2
[M+Na]+ 277.17742 167.2
[M-H]- 253.18092 163.3
[M+NH4]+ 272.22202 181.8
[M+K]+ 293.15136 163.0
[M+H-H2O]+ 237.18546 158.5
[M+HCOO]- 299.18640 174.8
[M+CH3COO]- 313.20205 190.2
[M+Na-2H]- 275.16287 159.2
[M]+ 254.18765 155.4
[M]- 254.18875 155.4
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.