CID 14629

3-benzyl-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane hydrochloride

Structural Information

Molecular Formula
C17H25N
SMILES
CC1(C2CCC1(CN(C2)CC3=CC=CC=C3)C)C
InChI
InChI=1S/C17H25N/c1-16(2)15-9-10-17(16,3)13-18(12-15)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKey
PNHINMKIBRRRFC-UHFFFAOYSA-N
Compound name
3-benzyl-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.205976 160.2
[M+Na]+ 266.187918 167.2
[M-H]- 242.191424 164.5
[M+NH4]+ 261.232523 183.8
[M+K]+ 282.161858 162.7
[M+H-H2O]+ 226.195960 153.0
[M+HCOO]- 288.196901 177.0
[M+CH3COO]- 302.212551 171.7
[M+Na-2H]- 264.173366 164.3
[M]+ 243.19815142 157.8
[M]- 243.19924858 157.8
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.