CID 44805

63834-41-3

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CCCC(CCC)N(C)C

InChI

InChI=1S/C9H21N/c1-5-7-9(8-6-2)10(3)4/h9H,5-8H2,1-4H3

InChIKey

OFTGYFQPRTVGCW-UHFFFAOYSA-N

Compound name

N,N-dimethylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 143.1674 Da
Monoisotopic Mass: 2.8
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	137.2
[M+Na]+	166.156618	142.3
[M-H]-	142.160124	138.6
[M+NH4]+	161.201223	159.4
[M+K]+	182.130558	143.2
[M+H-H2O]+	126.164660	131.9
[M+HCOO]-	188.165601	160.6
[M+CH3COO]-	202.181251	185.6
[M+Na-2H]-	164.142066	140.9
[M]+	143.16685142	139.5
[M]-	143.16794858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe