CID 19086897

3-benzyl-8-azabicyclo[3.2.1]octan-3-ol

Structural Information

Molecular Formula
C14H19NO
SMILES
C1CC2CC(CC1N2)(CC3=CC=CC=C3)O
InChI
InChI=1S/C14H19NO/c16-14(8-11-4-2-1-3-5-11)9-12-6-7-13(10-14)15-12/h1-5,12-13,15-16H,6-10H2
InChIKey
RSSJZKTVBGLHTH-UHFFFAOYSA-N
Compound name
3-benzyl-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

217.14667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 151.4
[M+Na]+ 240.135888 156.8
[M-H]- 216.139394 152.7
[M+NH4]+ 235.180493 172.3
[M+K]+ 256.109828 151.7
[M+H-H2O]+ 200.143930 144.8
[M+HCOO]- 262.144871 166.4
[M+CH3COO]- 276.160521 161.9
[M+Na-2H]- 238.121336 156.1
[M]+ 217.14612142 145.2
[M]- 217.14721858 145.2
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

patents stripe