CID 47002838

N-methyl-1-[2-(pyridin-4-yl)ethyl]piperidin-4-amine

Structural Information

Molecular Formula
C13H21N3
SMILES
CNC1CCN(CC1)CCC2=CC=NC=C2
InChI
InChI=1S/C13H21N3/c1-14-13-5-10-16(11-6-13)9-4-12-2-7-15-8-3-12/h2-3,7-8,13-14H,4-6,9-11H2,1H3
InChIKey
WNXBUQKVPFLNQK-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

219.17355 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.18083 152.5
[M+Na]+ 242.16277 156.5
[M-H]- 218.16627 155.1
[M+NH4]+ 237.20737 167.5
[M+K]+ 258.13671 153.0
[M+H-H2O]+ 202.17081 143.1
[M+HCOO]- 264.17175 171.3
[M+CH3COO]- 278.18740 191.3
[M+Na-2H]- 240.14822 157.9
[M]+ 219.17300 147.6
[M]- 219.17410 147.6
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