CID 8007

Butylamine

Structural Information

Molecular Formula

C₄H₁₁N

SMILES

CCCCN

InChI

InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3

InChIKey

HQABUPZFAYXKJW-UHFFFAOYSA-N

Compound name

butan-1-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 422
References: 83041
Patents: 73.08915 Da
Monoisotopic Mass: 1.0
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	114.0
[M+Na]+	96.078368	121.2
[M-H]-	72.081874	114.1
[M+NH4]+	91.122973	138.0
[M+K]+	112.05231	121.2
[M+H-H2O]+	56.086410	109.8
[M+HCOO]-	118.08735	138.8
[M+CH3COO]-	132.10300	165.2
[M+Na-2H]-	94.063816	121.4
[M]+	73.088601	112.7
[M]-	73.089699	112.7

Literature stripe

literature stripe

Patent stripe

patents stripe