CID 37474

36524-99-9

Structural Information

Molecular Formula
C19H27NO
SMILES
C1CCN(C1)C2CCC3CCCC2C3(C4=CC=CC=C4)O
InChI
InChI=1S/C19H27NO/c21-19(15-7-2-1-3-8-15)16-9-6-10-17(19)18(12-11-16)20-13-4-5-14-20/h1-3,7-8,16-18,21H,4-6,9-14H2
InChIKey
QKKXOOSOMJVKND-UHFFFAOYSA-N
Compound name
9-phenyl-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 171.2
[M+Na]+ 308.19848 173.9
[M-H]- 284.20198 175.7
[M+NH4]+ 303.24308 189.3
[M+K]+ 324.17242 168.3
[M+H-H2O]+ 268.20652 162.3
[M+HCOO]- 330.20746 182.8
[M+CH3COO]- 344.22311 179.7
[M+Na-2H]- 306.18393 171.7
[M]+ 285.20871 161.8
[M]- 285.20981 161.8
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.