CID 27787

Phenylacetamidine nitrate

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

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

InChI

InChI=1S/C8H10N2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10)

InChIKey

JTNCEQNHURODLX-UHFFFAOYSA-N

Compound name

2-phenylethanimidamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 10464
Patents: 134.0844 Da
Monoisotopic Mass: 0.5
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]+	135.09168	127.0
[M+Na]+	157.07362	133.1
[M-H]-	133.07712	130.1
[M+NH4]+	152.11822	147.7
[M+K]+	173.04756	130.9
[M+H-H2O]+	117.08166	121.0
[M+HCOO]-	179.08260	152.5
[M+CH3COO]-	193.09825	177.3
[M+Na-2H]-	155.05907	134.0
[M]+	134.08385	122.6
[M]-	134.08495	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe