CID 20879

1-(2,4-xylyl)biguanide

Structural Information

Molecular Formula

C₁₀H₁₅N₅

SMILES

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

InChI

InChI=1S/C10H15N5/c1-6-3-4-8(7(2)5-6)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)

InChIKey

NEOMBHNYODRTQG-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 17
Patents: 205.13275 Da
Monoisotopic Mass: 0.6
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]+	206.14003	148.3
[M+Na]+	228.12197	155.9
[M+NH4]+	223.16657	155.1
[M+K]+	244.09591	151.5
[M-H]-	204.12547	152.4
[M+Na-2H]-	226.10742	153.3
[M]+	205.13220	150.0
[M]-	205.13330	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe