CID 41357

(m-chlorobenzyl)guanidine

Structural Information

Molecular Formula

C₈H₁₀ClN₃

SMILES

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

InChI

InChI=1S/C8H10ClN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)

InChIKey

CUZPMXGXQZNUDE-UHFFFAOYSA-N

Compound name

2-[(3-chlorophenyl)methyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 183.05632 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]+	184.06360	137.4
[M+Na]+	206.04554	148.5
[M+NH4]+	201.09014	146.1
[M+K]+	222.01948	142.0
[M-H]-	182.04904	141.2
[M+Na-2H]-	204.03099	144.4
[M]+	183.05577	140.1
[M]-	183.05687	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe