CID 3050775

Brn 0401531

Structural Information

Molecular Formula

C₁₁H₁₈N₄O

SMILES

CC(C)(C)N=C(NC1=CN=CC=C1)NOC

InChI

InChI=1S/C11H18N4O/c1-11(2,3)14-10(15-16-4)13-9-6-5-7-12-8-9/h5-8H,1-4H3,(H2,13,14,15)

InChIKey

ULNRJGGKSQKMPX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 222.14806 Da
Monoisotopic Mass: 1.0
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]+	223.15534	152.1
[M+Na]+	245.13728	157.2
[M-H]-	221.14078	155.6
[M+NH4]+	240.18188	169.0
[M+K]+	261.11122	156.3
[M+H-H2O]+	205.14532	144.2
[M+HCOO]-	267.14626	177.2
[M+CH3COO]-	281.16191	197.1
[M+Na-2H]-	243.12273	160.3
[M]+	222.14751	152.1
[M]-	222.14861	152.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.