CID 138040185

2196248-82-3

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₃

SMILES

CC(C)(C)OC(=O)NCCOC1=CC(=NC=C1)N

InChI

InChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15-6-7-17-9-4-5-14-10(13)8-9/h4-5,8H,6-7H2,1-3H3,(H2,13,14)(H,15,16)

InChIKey

JTYOTJZBQLIGGW-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 253.14264 Da
Monoisotopic Mass: 1.2
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]+	254.149916	159.2
[M+Na]+	276.131858	165.0
[M-H]-	252.135364	161.0
[M+NH4]+	271.176463	174.4
[M+K]+	292.105798	163.8
[M+H-H2O]+	236.139900	151.7
[M+HCOO]-	298.140841	181.3
[M+CH3COO]-	312.156491	198.0
[M+Na-2H]-	274.117306	164.4
[M]+	253.14209142	160.8
[M]-	253.14318858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe