CID 3050783

67026-94-2

Structural Information

Molecular Formula

C₁₄H₂₀N₄

SMILES

CC1=C(C(=CC=C1)C)NC(=NC(C)(C)C)NC#N

InChI

InChI=1S/C14H20N4/c1-10-7-6-8-11(2)12(10)17-13(16-9-15)18-14(3,4)5/h6-8H,1-5H3,(H2,16,17,18)

InChIKey

GGRLOLARDKIMDE-UHFFFAOYSA-N

Compound name

2-tert-butyl-1-cyano-3-(2,6-dimethylphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 244.1688 Da
Monoisotopic Mass: 3.3
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]+	245.17608	166.0
[M+Na]+	267.15802	173.3
[M-H]-	243.16152	170.2
[M+NH4]+	262.20262	181.8
[M+K]+	283.13196	171.2
[M+H-H2O]+	227.16606	152.6
[M+HCOO]-	289.16700	186.8
[M+CH3COO]-	303.18265	214.9
[M+Na-2H]-	265.14347	169.5
[M]+	244.16825	160.4
[M]-	244.16935	160.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.