CID 47380

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

Structural Information

Molecular Formula

C₁₂H₂₇N

SMILES

CCCC(CCC)(CCC)N(C)C

InChI

InChI=1S/C12H27N/c1-6-9-12(10-7-2,11-8-3)13(4)5/h6-11H2,1-5H3

InChIKey

IOHZJCCMJGFCGF-UHFFFAOYSA-N

Compound name

N,N-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	149.0
[M+Na]+	208.20358	158.0
[M+NH4]+	203.24818	157.0
[M+K]+	224.17752	151.8
[M-H]-	184.20708	149.4
[M+Na-2H]-	206.18903	152.5
[M]+	185.21381	150.4
[M]-	185.21491	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe