CID 39437

Guanidine, (o-iodobenzyl)-

Structural Information

Molecular Formula

C₈H₁₀IN₃

SMILES

C1=CC=C(C(=C1)CN=C(N)N)I

InChI

InChI=1S/C8H10IN3/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)

InChIKey

ZZBINWIXTJFNDX-UHFFFAOYSA-N

Compound name

2-[(2-iodophenyl)methyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 306
Patents: 274.99194 Da
Monoisotopic Mass: 1.0
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]+	275.999216	152.9
[M+Na]+	297.981158	152.2
[M-H]-	273.984664	150.0
[M+NH4]+	293.025763	167.6
[M+K]+	313.955098	155.9
[M+H-H2O]+	257.989200	142.3
[M+HCOO]-	319.990141	174.3
[M+CH3COO]-	334.005791	195.8
[M+Na-2H]-	295.966606	145.3
[M]+	274.99139142	146.5
[M]-	274.99248858	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe