CID 442383

Lubimin

Structural Information

Molecular Formula
C15H24O2
SMILES
C[C@@H]1C[C@@H](C[C@@H]([C@]12CC[C@H](C2)C(=C)C)C=O)O
InChI
InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1
InChIKey
CEVNHRPKRNTGKO-ZSAUSMIDSA-N
Compound name
(3R,5S,6R,8S,10S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

30
Patents

236.17763 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 157.4
[M+Na]+ 259.166848 162.7
[M-H]- 235.170354 161.0
[M+NH4]+ 254.211453 178.9
[M+K]+ 275.140788 159.0
[M+H-H2O]+ 219.174890 152.9
[M+HCOO]- 281.175831 173.2
[M+CH3COO]- 295.191481 190.8
[M+Na-2H]- 257.152296 155.8
[M]+ 236.17708142 151.6
[M]- 236.17817858 151.6
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.