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

3
Patents

254.1882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.195476 162.2
[M+Na]+ 277.177418 167.2
[M-H]- 253.180924 163.3
[M+NH4]+ 272.222023 181.8
[M+K]+ 293.151358 163.0
[M+H-H2O]+ 237.185460 158.5
[M+HCOO]- 299.186401 174.8
[M+CH3COO]- 313.202051 190.2
[M+Na-2H]- 275.162866 159.2
[M]+ 254.18765142 155.4
[M]- 254.18874858 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

patents stripe