CID 203391

N-phenylethanimidamide

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

CC(=NC1=CC=CC=C1)N

InChI

InChI=1S/C8H10N2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3,(H2,9,10)

InChIKey

PANBFSGJYKYTNM-UHFFFAOYSA-N

Compound name

N'-phenylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 138
Patents: 134.0844 Da
Monoisotopic Mass: 1.1
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	126.7
[M+Na]+	157.07362	133.4
[M-H]-	133.07712	131.4
[M+NH4]+	152.11822	148.4
[M+K]+	173.04756	132.1
[M+H-H2O]+	117.08166	120.6
[M+HCOO]-	179.08260	153.8
[M+CH3COO]-	193.09825	179.2
[M+Na-2H]-	155.05907	134.3
[M]+	134.08385	124.2
[M]-	134.08495	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe