CID 13921

((p-chlorobenzyl)oxy)guanidine nitrate

Structural Information

Molecular Formula

C₈H₁₀ClN₃O

SMILES

C1=CC(=CC=C1CON=C(N)N)Cl

InChI

InChI=1S/C8H10ClN3O/c9-7-3-1-6(2-4-7)5-13-12-8(10)11/h1-4H,5H2,(H4,10,11,12)

InChIKey

DRFDRKXTSSFBNX-UHFFFAOYSA-N

Compound name

2-[(4-chlorophenyl)methoxy]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 199.05124 Da
Monoisotopic Mass: 1.3
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]+	200.05852	140.2
[M+Na]+	222.04046	150.9
[M+NH4]+	217.08506	148.3
[M+K]+	238.01440	144.9
[M-H]-	198.04396	143.5
[M+Na-2H]-	220.02591	146.8
[M]+	199.05069	142.6
[M]-	199.05179	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe