CID 84552

N-methyl-tert-butylamine

Structural Information

Molecular Formula

C₅H₁₃N

SMILES

CC(C)(C)NC

InChI

InChI=1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3

InChIKey

ZQGJEUVBUVKZKS-UHFFFAOYSA-N

Compound name

N,2-dimethylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8277
Patents: 87.1048 Da
Monoisotopic Mass: 0.8
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	118.2
[M+Na]+	110.09402	125.6
[M-H]-	86.097524	119.1
[M+NH4]+	105.13862	142.2
[M+K]+	126.06796	126.1
[M+H-H2O]+	70.102060	114.6
[M+HCOO]-	132.10300	141.8
[M+CH3COO]-	146.11865	168.6
[M+Na-2H]-	108.07947	126.7
[M]+	87.104251	117.8
[M]-	87.105349	117.8

Literature stripe

literature stripe

Patent stripe

patents stripe