CID 44807

4-heptylamine, n,n-dipropyl-, hydrochloride

Structural Information

Molecular Formula

C₁₃H₂₉N

SMILES

CCCC(CCC)N(CCC)CCC

InChI

InChI=1S/C13H29N/c1-5-9-13(10-6-2)14(11-7-3)12-8-4/h13H,5-12H2,1-4H3

InChIKey

KGWZEYDYLIDHEW-UHFFFAOYSA-N

Compound name

N,N-dipropylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 199.23 Da
Monoisotopic Mass: 4.6
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]+	200.237276	156.0
[M+Na]+	222.219218	159.4
[M-H]-	198.222724	156.5
[M+NH4]+	217.263823	175.9
[M+K]+	238.193158	159.2
[M+H-H2O]+	182.227260	149.8
[M+HCOO]-	244.228201	178.0
[M+CH3COO]-	258.243851	197.7
[M+Na-2H]-	220.204666	157.4
[M]+	199.22945142	159.7
[M]-	199.23054858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe