CID 12249

N-methylisobutylamine

Structural Information

Molecular Formula

C₅H₁₃N

SMILES

CC(C)CNC

InChI

InChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3

InChIKey

QKYWADPCTHTJHQ-UHFFFAOYSA-N

Compound name

N,2-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7311
Patents: 87.1048 Da
Monoisotopic Mass: 1.1
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]+	88.112076	118.9
[M+Na]+	110.09402	125.4
[M-H]-	86.097524	119.4
[M+NH4]+	105.13862	142.6
[M+K]+	126.06796	126.0
[M+H-H2O]+	70.102060	114.5
[M+HCOO]-	132.10300	143.0
[M+CH3COO]-	146.11865	169.8
[M+Na-2H]-	108.07947	125.5
[M]+	87.104251	118.3
[M]-	87.105349	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe