CID 62395550

2,2-dimethyl-1-(3-methylpyridin-2-yl)propan-1-amine

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CC1=C(N=CC=C1)C(C(C)(C)C)N

InChI

InChI=1S/C11H18N2/c1-8-6-5-7-13-9(8)10(12)11(2,3)4/h5-7,10H,12H2,1-4H3

InChIKey

YYCWWTRKRRLKER-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1-(3-methyl-2-pyridinyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.147 Da
Monoisotopic Mass: 1.9
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]+	179.154276	142.4
[M+Na]+	201.136218	149.5
[M-H]-	177.139724	144.5
[M+NH4]+	196.180823	161.2
[M+K]+	217.110158	147.5
[M+H-H2O]+	161.144260	136.3
[M+HCOO]-	223.145201	162.9
[M+CH3COO]-	237.160851	185.8
[M+Na-2H]-	199.121666	147.6
[M]+	178.14645142	141.1
[M]-	178.14754858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe