CID 14465

Tetraethylurea

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CCN(CC)C(=O)N(CC)CC

InChI

InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3

InChIKey

UWHSPZZUAYSGTB-UHFFFAOYSA-N

Compound name

1,1,3,3-tetraethylurea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 2698
Patents: 172.15756 Da
Monoisotopic Mass: 1.2
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	143.5
[M+Na]+	195.146778	148.4
[M-H]-	171.150284	146.4
[M+NH4]+	190.191383	164.8
[M+K]+	211.120718	150.4
[M+H-H2O]+	155.154820	137.4
[M+HCOO]-	217.155761	168.8
[M+CH3COO]-	231.171411	193.6
[M+Na-2H]-	193.132226	146.6
[M]+	172.15701142	146.8
[M]-	172.15810858	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe