CID 199574

4427-18-3

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

C1CCC(=NNC(=O)C2=CC=NC=C2)C1

InChI

InChI=1S/C11H13N3O/c15-11(9-5-7-12-8-6-9)14-13-10-3-1-2-4-10/h5-8H,1-4H2,(H,14,15)

InChIKey

WFWRZAGLLHCXCM-UHFFFAOYSA-N

Compound name

N-(cyclopentylideneamino)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 203.10587 Da
Monoisotopic Mass: 0.8
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]+	204.11315	143.7
[M+Na]+	226.09509	148.5
[M-H]-	202.09859	149.8
[M+NH4]+	221.13969	162.6
[M+K]+	242.06903	146.5
[M+H-H2O]+	186.10313	135.2
[M+HCOO]-	248.10407	168.9
[M+CH3COO]-	262.11972	188.4
[M+Na-2H]-	224.08054	149.1
[M]+	203.10532	139.8
[M]-	203.10642	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe