CID 11276107

Cubebol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2[C@@](CC3)(C)O)C(C)C
InChI
InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14+,15-/m1/s1
InChIKey
KONGRWVLXLWGDV-BYGOPZEFSA-N
Compound name
(1R,4S,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

1882
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 161.3
[M-H]- 221.19108 158.0
[M+NH4]+ 240.23218 173.5
[M+K]+ 261.16152 158.2
[M+H-H2O]+ 205.19562 149.6
[M+HCOO]- 267.19656 167.1
[M+CH3COO]- 281.21221 194.1
[M+Na-2H]- 243.17303 154.8
[M]+ 222.19781 153.5
[M]- 222.19891 153.5
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.