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

13
Patents

217.14667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 151.4
[M+Na]+ 240.13589 156.8
[M-H]- 216.13939 152.7
[M+NH4]+ 235.18049 172.3
[M+K]+ 256.10983 151.7
[M+H-H2O]+ 200.14393 144.8
[M+HCOO]- 262.14487 166.4
[M+CH3COO]- 276.16052 161.9
[M+Na-2H]- 238.12134 156.1
[M]+ 217.14612 145.2
[M]- 217.14722 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