CID 122156789

1-(pyridin-3-yl)-2-azaspiro[3.3]heptane dihydrochloride

Structural Information

Molecular Formula
C11H14N2
SMILES
C1CC2(C1)CNC2C3=CN=CC=C3
InChI
InChI=1S/C11H14N2/c1-3-9(7-12-6-1)10-11(8-13-10)4-2-5-11/h1,3,6-7,10,13H,2,4-5,8H2
InChIKey
DLATYZOPBAWRGB-UHFFFAOYSA-N
Compound name
3-pyridin-3-yl-2-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11569 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 130.3
[M+Na]+ 197.104908 135.5
[M-H]- 173.108414 134.4
[M+NH4]+ 192.149513 136.3
[M+K]+ 213.078848 137.7
[M+H-H2O]+ 157.112950 114.7
[M+HCOO]- 219.113891 146.1
[M+CH3COO]- 233.129541 189.5
[M+Na-2H]- 195.090356 137.8
[M]+ 174.11514142 142.3
[M]- 174.11623858 142.3
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.