CID 165947337

8-(3-methylpyridin-4-yl)-3,8-diazabicyclo[3.2.1]octane dihydrochloride

Structural Information

Molecular Formula
C12H17N3
SMILES
CC1=C(C=CN=C1)N2C3CCC2CNC3
InChI
InChI=1S/C12H17N3/c1-9-6-13-5-4-12(9)15-10-2-3-11(15)8-14-7-10/h4-6,10-11,14H,2-3,7-8H2,1H3
InChIKey
SCZPRAFUHRGYDC-UHFFFAOYSA-N
Compound name
8-(3-methyl-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14224 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.149516 147.8
[M+Na]+ 226.131458 154.4
[M-H]- 202.134964 147.8
[M+NH4]+ 221.176063 165.4
[M+K]+ 242.105398 149.8
[M+H-H2O]+ 186.139500 139.2
[M+HCOO]- 248.140441 162.0
[M+CH3COO]- 262.156091 158.3
[M+Na-2H]- 224.116906 151.9
[M]+ 203.14169142 142.4
[M]- 203.14278858 142.4
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.