CID 88399

1-butanamine, n-propyl-

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCCCNCCC

InChI

InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3

InChIKey

CWYZDPHNAGSFQB-UHFFFAOYSA-N

Compound name

N-propylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4978
Patents: 115.1361 Da
Monoisotopic Mass: 2.1
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]+	116.14338	127.4
[M+Na]+	138.12532	133.3
[M-H]-	114.12882	127.5
[M+NH4]+	133.16992	150.0
[M+K]+	154.09926	132.9
[M+H-H2O]+	98.133360	122.6
[M+HCOO]-	160.13430	151.9
[M+CH3COO]-	174.14995	175.1
[M+Na-2H]-	136.11077	134.2
[M]+	115.13555	128.3
[M]-	115.13665	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe