CID 68986

Tert-amylamine

Structural Information

Molecular Formula

C₅H₁₃N

SMILES

CCC(C)(C)N

InChI

InChI=1S/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3

InChIKey

GELMWIVBBPAMIO-UHFFFAOYSA-N

Compound name

2-methylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 18519
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	118.5
[M+Na]+	110.09402	125.8
[M-H]-	86.097524	118.8
[M+NH4]+	105.13862	142.2
[M+K]+	126.06796	125.9
[M+H-H2O]+	70.102060	114.9
[M+HCOO]-	132.10300	141.5
[M+CH3COO]-	146.11865	168.5
[M+Na-2H]-	108.07947	125.9
[M]+	87.104251	117.1
[M]-	87.105349	117.1

Literature stripe

literature stripe

Patent stripe

patents stripe