CID 83841962

252578-23-7

Structural Information

Molecular Formula
C12H17N3O2
SMILES
COC(=O)C1=CN=C(C=C1)N2CCC(CC2)N
InChI
InChI=1S/C12H17N3O2/c1-17-12(16)9-2-3-11(14-8-9)15-6-4-10(13)5-7-15/h2-3,8,10H,4-7,13H2,1H3
InChIKey
PNYAFNJCKJSDRF-UHFFFAOYSA-N
Compound name
methyl 6-(4-aminopiperidin-1-yl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

235.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 154.4
[M+Na]+ 258.12130 159.8
[M-H]- 234.12480 157.3
[M+NH4]+ 253.16590 168.6
[M+K]+ 274.09524 157.2
[M+H-H2O]+ 218.12934 145.4
[M+HCOO]- 280.13028 172.5
[M+CH3COO]- 294.14593 192.5
[M+Na-2H]- 256.10675 157.4
[M]+ 235.13153 150.0
[M]- 235.13263 150.0
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