CID 551746

Tetraethylthiourea

Structural Information

Molecular Formula

C₉H₂₀N₂S

SMILES

CCN(CC)C(=S)N(CC)CC

InChI

InChI=1S/C9H20N2S/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3

InChIKey

ZSPQVOFATJEJMT-UHFFFAOYSA-N

Compound name

1,1,3,3-tetraethylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1879
Patents: 188.13472 Da
Monoisotopic Mass: 1.8
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]+	189.141996	146.2
[M+Na]+	211.123938	150.9
[M-H]-	187.127444	149.0
[M+NH4]+	206.168543	167.2
[M+K]+	227.097878	151.2
[M+H-H2O]+	171.131980	139.6
[M+HCOO]-	233.132921	165.3
[M+CH3COO]-	247.148571	195.4
[M+Na-2H]-	209.109386	146.1
[M]+	188.13417142	150.0
[M]-	188.13526858	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe