CID 139022435

1245915-52-9

Structural Information

Molecular Formula

C₁₃H₂₁N₃O₂

SMILES

CC(C)(C)OC(=O)NC1=NC=C(C=C1)CCCN

InChI

InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-11-7-6-10(9-15-11)5-4-8-14/h6-7,9H,4-5,8,14H2,1-3H3,(H,15,16,17)

InChIKey

WMSKLQRFXIQIQE-UHFFFAOYSA-N

Compound name

tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.16338 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.170656	161.2
[M+Na]+	274.152598	166.6
[M-H]-	250.156104	162.8
[M+NH4]+	269.197203	176.4
[M+K]+	290.126538	164.6
[M+H-H2O]+	234.160640	153.7
[M+HCOO]-	296.161581	182.6
[M+CH3COO]-	310.177231	198.9
[M+Na-2H]-	272.138046	165.7
[M]+	251.16283142	161.7
[M]-	251.16392858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.