CID 11149707

Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CCOC(=O)N1CCC(CC1)NC2=NC=CC(=C2)C
InChI
InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)
InChIKey
LNRMJBWADUSJTA-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

263.1634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 163.0
[M+Na]+ 286.15262 167.6
[M-H]- 262.15612 166.1
[M+NH4]+ 281.19722 176.4
[M+K]+ 302.12656 164.9
[M+H-H2O]+ 246.16066 153.6
[M+HCOO]- 308.16160 181.1
[M+CH3COO]- 322.17725 198.4
[M+Na-2H]- 284.13807 166.0
[M]+ 263.16285 160.3
[M]- 263.16395 160.3
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

patents stripe