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

2023
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

literature stripe

Patent stripe

patents stripe