CID 38665

4-heptylamine

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCCC(CCC)N

InChI

InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3

InChIKey

CLJMMQGDJNYDER-UHFFFAOYSA-N

Compound name

heptan-4-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2099
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	128.7
[M+Na]+	138.12532	134.4
[M-H]-	114.12882	128.3
[M+NH4]+	133.16992	151.0
[M+K]+	154.09926	134.0
[M+H-H2O]+	98.133360	123.9
[M+HCOO]-	160.13430	151.5
[M+CH3COO]-	174.14995	175.2
[M+Na-2H]-	136.11077	133.1
[M]+	115.13555	127.8
[M]-	115.13665	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe