CID 3050768

67026-66-8

Structural Information

Molecular Formula

C₁₃H₂₁N₅O

SMILES

CC1=C(C(=NO1)C)NC(=NC(C)C(C)(C)C)NC#N

InChI

InChI=1S/C13H21N5O/c1-8-11(9(2)19-18-8)17-12(15-7-14)16-10(3)13(4,5)6/h10H,1-6H3,(H2,15,16,17)

InChIKey

RMJKKFPLXKCMAN-UHFFFAOYSA-N

Compound name

1-cyano-2-(3,3-dimethylbutan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 263.17462 Da
Monoisotopic Mass: 3.0
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]+	264.181896	168.5
[M+Na]+	286.163838	175.3
[M-H]-	262.167344	171.7
[M+NH4]+	281.208443	182.4
[M+K]+	302.137778	175.5
[M+H-H2O]+	246.171880	153.7
[M+HCOO]-	308.172821	187.4
[M+CH3COO]-	322.188471	217.3
[M+Na-2H]-	284.149286	170.7
[M]+	263.17407142	164.6
[M]-	263.17516858	164.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.