CID 48878

Brn 0397019

Structural Information

Molecular Formula

C₁₀H₁₆N₄O

SMILES

CC(C)(C)N=C(NC1=CN=CC=C1)NO

InChI

InChI=1S/C10H16N4O/c1-10(2,3)13-9(14-15)12-8-5-4-6-11-7-8/h4-7,15H,1-3H3,(H2,12,13,14)

InChIKey

RKPLKSDEMAXUCT-UHFFFAOYSA-N

Compound name

2-tert-butyl-1-hydroxy-3-pyridin-3-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 208.13242 Da
Monoisotopic Mass: 0.8
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]+	209.139696	147.8
[M+Na]+	231.121638	152.9
[M-H]-	207.125144	150.1
[M+NH4]+	226.166243	164.5
[M+K]+	247.095578	151.4
[M+H-H2O]+	191.129680	140.4
[M+HCOO]-	253.130621	171.7
[M+CH3COO]-	267.146271	191.5
[M+Na-2H]-	229.107086	156.0
[M]+	208.13187142	145.5
[M]-	208.13296858	145.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.