CID 16226

N,n-dimethylheptylamine

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CCCCCCCN(C)C

InChI

InChI=1S/C9H21N/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3

InChIKey

LSICDRUYCNGRIF-UHFFFAOYSA-N

Compound name

N,N-dimethylheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1038
Patents: 143.1674 Da
Monoisotopic Mass: 3.6
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]+	144.174676	136.7
[M+Na]+	166.156618	142.0
[M-H]-	142.160124	138.0
[M+NH4]+	161.201223	159.0
[M+K]+	182.130558	142.5
[M+H-H2O]+	126.164660	131.3
[M+HCOO]-	188.165601	161.1
[M+CH3COO]-	202.181251	184.8
[M+Na-2H]-	164.142066	141.7
[M]+	143.16685142	139.6
[M]-	143.16794858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe