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

literature stripe

Patent stripe

patents stripe