CID 47392

N,2-dimethyl-4-propyl-4-heptanamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₇N

SMILES

CCCC(CCC)(CC(C)C)NC

InChI

InChI=1S/C12H27N/c1-6-8-12(13-5,9-7-2)10-11(3)4/h11,13H,6-10H2,1-5H3

InChIKey

MALXHNLYPQAKOY-UHFFFAOYSA-N

Compound name

N,2-dimethyl-4-propylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 185.21436 Da
Monoisotopic Mass: 3.9
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]+	186.22164	150.7
[M+Na]+	208.20358	154.9
[M-H]-	184.20708	150.3
[M+NH4]+	203.24818	170.7
[M+K]+	224.17752	153.9
[M+H-H2O]+	168.21162	145.7
[M+HCOO]-	230.21256	171.0
[M+CH3COO]-	244.22821	191.4
[M+Na-2H]-	206.18903	154.2
[M]+	185.21381	152.4
[M]-	185.21491	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe