CID 32379

Mandelamidine, monohydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1=CC=C(C=C1)C(C(=N)N)O

InChI

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

InChIKey

AFXGCWGNLJLYEZ-UHFFFAOYSA-N

Compound name

2-hydroxy-2-phenylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 150.07932 Da
Monoisotopic Mass: 0.3
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]+	151.08660	131.2
[M+Na]+	173.06854	136.6
[M-H]-	149.07204	133.0
[M+NH4]+	168.11314	150.5
[M+K]+	189.04248	134.5
[M+H-H2O]+	133.07658	125.3
[M+HCOO]-	195.07752	154.4
[M+CH3COO]-	209.09317	177.8
[M+Na-2H]-	171.05399	136.4
[M]+	150.07877	125.7
[M]-	150.07987	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe