CID 47378

64467-44-3

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

CCCC(CCC)(CCC)NC

InChI

InChI=1S/C11H25N/c1-5-8-11(12-4,9-6-2)10-7-3/h12H,5-10H2,1-4H3

InChIKey

LIQWRQIWHRKUEA-UHFFFAOYSA-N

Compound name

N-methyl-4-propylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 171.1987 Da
Monoisotopic Mass: 3.4
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]+	172.20598	145.9
[M+Na]+	194.18792	150.7
[M-H]-	170.19142	145.6
[M+NH4]+	189.23252	166.5
[M+K]+	210.16186	149.5
[M+H-H2O]+	154.19596	140.9
[M+HCOO]-	216.19690	167.5
[M+CH3COO]-	230.21255	187.6
[M+Na-2H]-	192.17337	151.1
[M]+	171.19815	147.8
[M]-	171.19925	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe