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]+ 286.216536 171.2
[M+Na]+ 308.198478 173.9
[M-H]- 284.201984 175.7
[M+NH4]+ 303.243083 189.3
[M+K]+ 324.172418 168.3
[M+H-H2O]+ 268.206520 162.3
[M+HCOO]- 330.207461 182.8
[M+CH3COO]- 344.223111 179.7
[M+Na-2H]- 306.183926 171.7
[M]+ 285.20871142 161.8
[M]- 285.20980858 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.