CID 3050792

Brn 2455468

Structural Information

Molecular Formula

C₁₂H₂₅N₅

SMILES

CCC(C)(C)NC(=NCCCN(C)C)NC#N

InChI

InChI=1S/C12H25N5/c1-6-12(2,3)16-11(15-10-13)14-8-7-9-17(4)5/h6-9H2,1-5H3,(H2,14,15,16)

InChIKey

RWTYCVWZPAKQAJ-UHFFFAOYSA-N

Compound name

1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 239.211 Da
Monoisotopic Mass: 1.4
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]+	240.21828	163.0
[M+Na]+	262.20022	166.9
[M-H]-	238.20372	165.1
[M+NH4]+	257.24482	178.8
[M+K]+	278.17416	168.3
[M+H-H2O]+	222.20826	149.2
[M+HCOO]-	284.20920	184.3
[M+CH3COO]-	298.22485	219.9
[M+Na-2H]-	260.18567	166.1
[M]+	239.21045	158.8
[M]-	239.21155	158.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.