CID 65575

Cedrol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)O
InChI
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
InChIKey
SVURIXNDRWRAFU-OGMFBOKVSA-N
Compound name
(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

126
References

14018
Patents

222.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 152.9
[M+Na]+ 245.18758 161.1
[M+NH4]+ 240.23218 167.1
[M+K]+ 261.16152 152.7
[M-H]- 221.19108 154.2
[M+Na-2H]- 243.17303 157.1
[M]+ 222.19781 154.8
[M]- 222.19891 154.8
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