CID 448513

4-(hydroxymethyl)benzamidine

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1=CC(=CC=C1CO)C(=N)N

InChI

InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)

InChIKey

WHMKAFNJMLEDSN-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 48
Patents: 150.07932 Da
Monoisotopic Mass: 0.4
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]+	151.08660	130.5
[M+Na]+	173.06854	137.1
[M-H]-	149.07204	132.6
[M+NH4]+	168.11314	150.1
[M+K]+	189.04248	134.5
[M+H-H2O]+	133.07658	124.7
[M+HCOO]-	195.07752	154.7
[M+CH3COO]-	209.09317	178.0
[M+Na-2H]-	171.05399	136.2
[M]+	150.07877	126.0
[M]-	150.07987	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe