CID 6385

Tert-butylamine

Structural Information

Molecular Formula

C₄H₁₁N

SMILES

CC(C)(C)N

InChI

InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3

InChIKey

YBRBMKDOPFTVDT-UHFFFAOYSA-N

Compound name

2-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 93
References: 137695
Patents: 73.08915 Da
Monoisotopic Mass: 0.3
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]+	74.096426	113.9
[M+Na]+	96.078368	121.6
[M-H]-	72.081874	114.3
[M+NH4]+	91.122973	138.1
[M+K]+	112.05231	121.9
[M+H-H2O]+	56.086410	110.4
[M+HCOO]-	118.08735	137.2
[M+CH3COO]-	132.10300	165.5
[M+Na-2H]-	94.063816	121.8
[M]+	73.088601	112.1
[M]-	73.089699	112.1

Literature stripe

literature stripe

Patent stripe

patents stripe