CID 3047315

Gc 27

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CCC(=O)NCCN(CC)CC

InChI

InChI=1S/C9H20N2O/c1-4-9(12)10-7-8-11(5-2)6-3/h4-8H2,1-3H3,(H,10,12)

InChIKey

ZJJAQVISALRGCN-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 172.15756 Da
Monoisotopic Mass: 0.8
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	143.4
[M+Na]+	195.146778	147.9
[M-H]-	171.150284	144.6
[M+NH4]+	190.191383	163.9
[M+K]+	211.120718	148.6
[M+H-H2O]+	155.154820	137.3
[M+HCOO]-	217.155761	168.1
[M+CH3COO]-	231.171411	190.7
[M+Na-2H]-	193.132226	147.1
[M]+	172.15701142	145.4
[M]-	172.15810858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe