CID 9574837

Schembl3001408

Structural Information

Molecular Formula

C₁₂H₁₇N₃O

SMILES

CCCCC/C=N/NC(=O)C1=CC=NC=C1

InChI

InChI=1S/C12H17N3O/c1-2-3-4-5-8-14-15-12(16)11-6-9-13-10-7-11/h6-10H,2-5H2,1H3,(H,15,16)/b14-8+

InChIKey

IAWGKGOPHQDDFC-RIYZIHGNSA-N

Compound name

N-[(E)-hexylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 219.13716 Da
Monoisotopic Mass: 2.0
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]+	220.14444	151.0
[M+Na]+	242.12638	156.3
[M-H]-	218.12988	154.0
[M+NH4]+	237.17098	168.0
[M+K]+	258.10032	154.1
[M+H-H2O]+	202.13442	142.8
[M+HCOO]-	264.13536	176.5
[M+CH3COO]-	278.15101	195.2
[M+Na-2H]-	240.11183	157.7
[M]+	219.13661	152.2
[M]-	219.13771	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe