CID 12301996

Bourbonol

Structural Information

Molecular Formula
C15H26O
SMILES
CC(C)[C@@H]1CC[C@@]2([C@H]1[C@@H]3[C@H]2CC[C@]3(C)O)C
InChI
InChI=1S/C15H26O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m0/s1
InChIKey
HNNQYJPDMHXZMQ-RHTUOURWSA-N
Compound name
(1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yltricyclo[5.3.0.02,6]decan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 157.6
[M+Na]+ 245.18758 163.7
[M-H]- 221.19108 161.9
[M+NH4]+ 240.23218 178.7
[M+K]+ 261.16152 162.3
[M+H-H2O]+ 205.19562 151.5
[M+HCOO]- 267.19656 172.7
[M+CH3COO]- 281.21221 194.1
[M+Na-2H]- 243.17303 157.5
[M]+ 222.19781 164.6
[M]- 222.19891 164.6
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.