CID 68182827

1228994-77-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CC(C1)(CN)C2=CC=CC=N2

InChI

InChI=1S/C10H14N2/c11-8-10(5-3-6-10)9-4-1-2-7-12-9/h1-2,4,7H,3,5-6,8,11H2

InChIKey

RDWGGRZPPAFBSK-UHFFFAOYSA-N

Compound name

(1-pyridin-2-ylcyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 162.11569 Da
Monoisotopic Mass: 1.0
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]+	163.122966	135.2
[M+Na]+	185.104908	140.8
[M-H]-	161.108414	139.8
[M+NH4]+	180.149513	149.3
[M+K]+	201.078848	141.3
[M+H-H2O]+	145.112950	123.4
[M+HCOO]-	207.113891	156.8
[M+CH3COO]-	221.129541	182.2
[M+Na-2H]-	183.090356	142.7
[M]+	162.11514142	140.3
[M]-	162.11623858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe