CID 27527

15885-62-8

Structural Information

Molecular Formula

C₁₃H₁₇N₃O

SMILES

C1CCCC(=NNC(=O)C2=CC=NC=C2)CC1

InChI

InChI=1S/C13H17N3O/c17-13(11-7-9-14-10-8-11)16-15-12-5-3-1-2-4-6-12/h7-10H,1-6H2,(H,16,17)

InChIKey

GPPOWELDCJJAIZ-UHFFFAOYSA-N

Compound name

N-(cycloheptylideneamino)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 231.13716 Da
Monoisotopic Mass: 1.9
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]+	232.14444	151.5
[M+Na]+	254.12638	153.2
[M-H]-	230.12988	157.9
[M+NH4]+	249.17098	166.2
[M+K]+	270.10032	155.6
[M+H-H2O]+	214.13442	142.8
[M+HCOO]-	276.13536	173.0
[M+CH3COO]-	290.15101	195.9
[M+Na-2H]-	252.11183	156.8
[M]+	231.13661	143.4
[M]-	231.13771	143.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.