CID 200807

Brn 2358740

Structural Information

Molecular Formula

C₁₂H₂₆N₂O

SMILES

CCCC(CCC)C(=O)NCCN(C)C

InChI

InChI=1S/C12H26N2O/c1-5-7-11(8-6-2)12(15)13-9-10-14(3)4/h11H,5-10H2,1-4H3,(H,13,15)

InChIKey

ZOLZHDUYLFKOTI-UHFFFAOYSA-N

Compound name

N-[2-(dimethylamino)ethyl]-2-propylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 214.20451 Da
Monoisotopic Mass: 2.4
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]+	215.211786	157.9
[M+Na]+	237.193728	161.0
[M-H]-	213.197234	158.7
[M+NH4]+	232.238333	176.7
[M+K]+	253.167668	161.3
[M+H-H2O]+	197.201770	151.3
[M+HCOO]-	259.202711	180.7
[M+CH3COO]-	273.218361	200.6
[M+Na-2H]-	235.179176	158.7
[M]+	214.20396142	160.4
[M]-	214.20505858	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe