CID 8068

N-methylbutylamine

Structural Information

Molecular Formula

C₅H₁₃N

SMILES

CCCCNC

InChI

InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3

InChIKey

QCOGKXLOEWLIDC-UHFFFAOYSA-N

Compound name

N-methylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3
References: 25098
Patents: 87.1048 Da
Monoisotopic Mass: 1.3
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]+	88.112076	118.2
[M+Na]+	110.094018	124.9
[M-H]-	86.097524	118.6
[M+NH4]+	105.138623	141.9
[M+K]+	126.067958	125.1
[M+H-H2O]+	70.102060	113.8
[M+HCOO]-	132.103001	143.3
[M+CH3COO]-	146.118651	169.0
[M+Na-2H]-	108.079466	126.1
[M]+	87.10425142	118.3
[M]-	87.10534858	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe