CID 6558

Isobutylamine

Structural Information

Molecular Formula

C₄H₁₁N

SMILES

CC(C)CN

InChI

InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3

InChIKey

KDSNLYIMUZNERS-UHFFFAOYSA-N

Compound name

2-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 63
References: 51246
Patents: 73.08915 Da
Monoisotopic Mass: 0.7
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	113.5
[M+Na]+	96.078368	123.5
[M+NH4]+	91.122973	122.4
[M+K]+	112.05231	118.5
[M-H]-	72.081874	114.1
[M+Na-2H]-	94.063816	118.1
[M]+	73.088601	114.9
[M]-	73.089699	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe