CID 559366

N-sec-butyl-n-propylamine

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCCNC(C)CC

InChI

InChI=1S/C7H17N/c1-4-6-8-7(3)5-2/h7-8H,4-6H2,1-3H3

InChIKey

QYNZYUUXSVZDJO-UHFFFAOYSA-N

Compound name

N-propylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1648
Patents: 115.1361 Da
Monoisotopic Mass: 1.9
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	126.8
[M+Na]+	138.12532	136.6
[M+NH4]+	133.16992	135.5
[M+K]+	154.09926	130.6
[M-H]-	114.12882	127.6
[M+Na-2H]-	136.11077	131.1
[M]+	115.13555	128.2
[M]-	115.13665	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe