CID 6429080

Gleenol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1CC[C@H]([C@H]([C@@]12CCC(=C2)C)O)C(C)C
InChI
InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14-,15-/m1/s1
InChIKey
MYLXGCVCCZCOHU-LXTVHRRPSA-N
Compound name
(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
Patents

222.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 154.9
[M+Na]+ 245.187578 160.8
[M-H]- 221.191084 159.0
[M+NH4]+ 240.232183 177.3
[M+K]+ 261.161518 157.6
[M+H-H2O]+ 205.195620 150.4
[M+HCOO]- 267.196561 171.6
[M+CH3COO]- 281.212211 190.0
[M+Na-2H]- 243.173026 154.1
[M]+ 222.19781142 150.5
[M]- 222.19890858 150.5
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