CID 126970880

1-(pyridin-4-yl)-2-azaspiro[3.3]heptane

Structural Information

Molecular Formula
C11H14N2
SMILES
C1CC2(C1)CNC2C3=CC=NC=C3
InChI
InChI=1S/C11H14N2/c1-4-11(5-1)8-13-10(11)9-2-6-12-7-3-9/h2-3,6-7,10,13H,1,4-5,8H2
InChIKey
DNWMMAOYBPXTNT-UHFFFAOYSA-N
Compound name
3-pyridin-4-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]+ 175.12297 130.3
[M+Na]+ 197.10491 135.5
[M-H]- 173.10841 134.4
[M+NH4]+ 192.14951 136.3
[M+K]+ 213.07885 137.7
[M+H-H2O]+ 157.11295 114.7
[M+HCOO]- 219.11389 146.1
[M+CH3COO]- 233.12954 189.5
[M+Na-2H]- 195.09036 137.8
[M]+ 174.11514 142.3
[M]- 174.11624 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

literature stripe

Patent stripe

No patent data available for this compound.