CID 10376937

Lubiminol

Structural Information

Molecular Formula
C15H26O2
SMILES
C[C@@H]1C[C@@H](C[C@@H]([C@]12CC[C@H](C2)C(=C)C)CO)O
InChI
InChI=1S/C15H26O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-14,16-17H,1,4-9H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1
InChIKey
LOLOOEMMLLRJKC-ZSAUSMIDSA-N
Compound name
(3R,5S,6R,8S,10S)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

238.19328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 159.6
[M+Na]+ 261.182498 164.2
[M-H]- 237.186004 161.8
[M+NH4]+ 256.227103 180.4
[M+K]+ 277.156438 160.2
[M+H-H2O]+ 221.190540 155.3
[M+HCOO]- 283.191481 173.6
[M+CH3COO]- 297.207131 189.1
[M+Na-2H]- 259.167946 157.4
[M]+ 238.19273142 152.6
[M]- 238.19382858 152.6
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