CID 45092078

445432-37-1

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

CC(C)(C)OC(=O)NC1=CN=C(C=C1)N

InChI

InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H2,11,12)(H,13,14)

InChIKey

JRGFHNRLNOKTEP-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-aminopyridin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 209.11642 Da
Monoisotopic Mass: 1.1
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]+	210.12370	147.5
[M+Na]+	232.10564	154.3
[M-H]-	208.10914	149.7
[M+NH4]+	227.15024	164.5
[M+K]+	248.07958	153.0
[M+H-H2O]+	192.11368	140.7
[M+HCOO]-	254.11462	170.0
[M+CH3COO]-	268.13027	189.7
[M+Na-2H]-	230.09109	153.6
[M]+	209.11587	146.9
[M]-	209.11697	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe