CID 162623237

(-)-longiborneol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@]12CCCC([C@H]3[C@@H]1CC[C@@]2([C@@H]3O)C)(C)C
InChI
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-6-9-15(14,4)12(16)11(10)13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m0/s1
InChIKey
MNNFKQAYXGEKFA-CWFCOSEVSA-N
Compound name
(1S,2R,7R,8R,9S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

126
Patents

222.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 154.0
[M+Na]+ 245.187578 160.7
[M-H]- 221.191084 158.2
[M+NH4]+ 240.232183 181.8
[M+K]+ 261.161518 156.6
[M+H-H2O]+ 205.195620 150.8
[M+HCOO]- 267.196561 168.8
[M+CH3COO]- 281.212211 165.5
[M+Na-2H]- 243.173026 156.1
[M]+ 222.19781142 149.2
[M]- 222.19890858 149.2
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

No patent data available for this compound.