CID 59587824

1286273-78-6

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

C1CCC(CC1)NC2=C(N=CC=C2)N

InChI

InChI=1S/C11H17N3/c12-11-10(7-4-8-13-11)14-9-5-2-1-3-6-9/h4,7-9,14H,1-3,5-6H2,(H2,12,13)

InChIKey

CLWPVXLYGATKMF-UHFFFAOYSA-N

Compound name

3-N-cyclohexylpyridine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.14224 Da
Monoisotopic Mass: 2.3
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]+	192.14952	143.8
[M+Na]+	214.13146	154.9
[M+NH4]+	209.17606	152.7
[M+K]+	230.10540	147.9
[M-H]-	190.13496	148.9
[M+Na-2H]-	212.11691	151.8
[M]+	191.14169	146.6
[M]-	191.14279	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe