CID 3056842

73840-39-8

Structural Information

Molecular Formula

C₁₃H₁₃N₂O

SMILES

C1=CC=C(C=C1)C(C(=O)N)[N+]2=CC=CC=C2

InChI

InChI=1S/C13H12N2O/c14-13(16)12(11-7-3-1-4-8-11)15-9-5-2-6-10-15/h1-10,12H,(H-,14,16)/p+1

InChIKey

AXKSEPOKBCVHKO-UHFFFAOYSA-O

Compound name

2-phenyl-2-pyridin-1-ium-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.10278 Da
Monoisotopic Mass: 1.2
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]+	214.11006	148.6
[M+Na]+	236.09200	154.2
[M-H]-	212.09550	153.4
[M+NH4]+	231.13660	164.2
[M+K]+	252.06594	145.3
[M+H-H2O]+	196.10004	143.0
[M+HCOO]-	258.10098	170.4
[M+CH3COO]-	272.11663	181.8
[M+Na-2H]-	234.07745	156.4
[M]+	213.10223	144.3
[M]-	213.10333	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe