CID 39455

(2-(n-methyl-2,6-xylidino)ethyl)guanidine

Structural Information

Molecular Formula

C₁₂H₂₀N₄

SMILES

CC1=C(C(=CC=C1)C)N(C)CCN=C(N)N

InChI

InChI=1S/C12H20N4/c1-9-5-4-6-10(2)11(9)16(3)8-7-15-12(13)14/h4-6H,7-8H2,1-3H3,(H4,13,14,15)

InChIKey

QKTIVYNFAOATJT-UHFFFAOYSA-N

Compound name

2-[2-(N,2,6-trimethylanilino)ethyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 220.1688 Da
Monoisotopic Mass: 1.2
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]+	221.176076	153.7
[M+Na]+	243.158018	159.0
[M-H]-	219.161524	159.2
[M+NH4]+	238.202623	172.0
[M+K]+	259.131958	157.9
[M+H-H2O]+	203.166060	145.9
[M+HCOO]-	265.167001	181.2
[M+CH3COO]-	279.182651	206.8
[M+Na-2H]-	241.143466	156.2
[M]+	220.16825142	152.1
[M]-	220.16934858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe