CID 21146036

3-pyridinecarboxylic acid, cyclohexylidenehydrazide

Structural Information

Molecular Formula

C₁₂H₁₇N₃

SMILES

C1CCC(=NNCC2=CN=CC=C2)CC1

InChI

InChI=1S/C12H17N3/c1-2-6-12(7-3-1)15-14-10-11-5-4-8-13-9-11/h4-5,8-9,14H,1-3,6-7,10H2

InChIKey

QZUAYMFATFVGOI-UHFFFAOYSA-N

Compound name

N-(cyclohexylideneamino)-1-pyridin-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.14224 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]+	204.149516	144.9
[M+Na]+	226.131458	148.3
[M-H]-	202.134964	150.1
[M+NH4]+	221.176063	161.9
[M+K]+	242.105398	145.5
[M+H-H2O]+	186.139500	135.9
[M+HCOO]-	248.140441	168.1
[M+CH3COO]-	262.156091	190.5
[M+Na-2H]-	224.116906	152.4
[M]+	203.14169142	139.1
[M]-	203.14278858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe