CID 544735

1-butanamine, n-ethylidene-

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CCCCN=CC

InChI

InChI=1S/C6H13N/c1-3-5-6-7-4-2/h4H,3,5-6H2,1-2H3

InChIKey

NKGJJLDEORZFKJ-UHFFFAOYSA-N

Compound name

N-butylethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 339
Patents: 99.1048 Da
Monoisotopic Mass: 1.1
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]+	100.112076	120.6
[M+Na]+	122.094018	127.7
[M-H]-	98.097524	122.4
[M+NH4]+	117.138623	144.6
[M+K]+	138.067958	128.0
[M+H-H2O]+	82.102060	115.9
[M+HCOO]-	144.103001	147.1
[M+CH3COO]-	158.118651	173.2
[M+Na-2H]-	120.079466	128.6
[M]+	99.10425142	122.3
[M]-	99.10534858	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe