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
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.0
[M+Na]+ 245.18758 160.7
[M-H]- 221.19108 158.2
[M+NH4]+ 240.23218 181.8
[M+K]+ 261.16152 156.6
[M+H-H2O]+ 205.19562 150.8
[M+HCOO]- 267.19656 168.8
[M+CH3COO]- 281.21221 165.5
[M+Na-2H]- 243.17303 156.1
[M]+ 222.19781 149.2
[M]- 222.19891 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.