CID 47394

64467-57-8

Structural Information

Molecular Formula

C₁₃H₂₉N

SMILES

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

InChI

InChI=1S/C13H29N/c1-7-9-13(10-8-2,14(5)6)11-12(3)4/h12H,7-11H2,1-6H3

InChIKey

LILGNMKYDJIDKZ-UHFFFAOYSA-N

Compound name

N,N,2-trimethyl-4-propylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 199.23 Da
Monoisotopic Mass: 4.3
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	154.7
[M+Na]+	222.219218	158.6
[M-H]-	198.222724	155.6
[M+NH4]+	217.263823	174.8
[M+K]+	238.193158	158.8
[M+H-H2O]+	182.227260	149.3
[M+HCOO]-	244.228201	175.2
[M+CH3COO]-	258.243851	198.0
[M+Na-2H]-	220.204666	156.9
[M]+	199.22945142	158.0
[M]-	199.23054858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe