CID 3020138

84803-62-3

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CCCNC(CC)C(=O)N(C)C

InChI

InChI=1S/C9H20N2O/c1-5-7-10-8(6-2)9(12)11(3)4/h8,10H,5-7H2,1-4H3

InChIKey

ZTQZPLOALMHVJS-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(propylamino)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.15756 Da
Monoisotopic Mass: 1.1
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]+	173.164836	144.0
[M+Na]+	195.146778	148.3
[M-H]-	171.150284	145.3
[M+NH4]+	190.191383	164.4
[M+K]+	211.120718	149.4
[M+H-H2O]+	155.154820	138.0
[M+HCOO]-	217.155761	167.7
[M+CH3COO]-	231.171411	191.6
[M+Na-2H]-	193.132226	146.4
[M]+	172.15701142	145.3
[M]-	172.15810858	145.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.