CID 203871

Isonicotinic acid, 2-cyclohexylhydrazide

Structural Information

Molecular Formula

C₁₂H₁₇N₃O

SMILES

C1CCC(CC1)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C12H17N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2,(H,15,16)

InChIKey

UKKLRQPQZKNFEE-UHFFFAOYSA-N

Compound name

N'-cyclohexylpyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 219.13716 Da
Monoisotopic Mass: 1.7
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	161.0
[M+NH4]+	237.17098	158.9
[M+K]+	258.10032	154.6
[M-H]-	218.12988	155.2
[M+Na-2H]-	240.11183	158.5
[M]+	219.13661	153.2
[M]-	219.13771	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe