CID 29376

1,1,3-triethylurea

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CCNC(=O)N(CC)CC

InChI

InChI=1S/C7H16N2O/c1-4-8-7(10)9(5-2)6-3/h4-6H2,1-3H3,(H,8,10)

InChIKey

HJKYLTYAGGYRAZ-UHFFFAOYSA-N

Compound name

1,1,3-triethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 285
Patents: 144.12627 Da
Monoisotopic Mass: 0.7
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]+	145.13355	133.7
[M+Na]+	167.11549	142.0
[M+NH4]+	162.16009	141.2
[M+K]+	183.08943	137.3
[M-H]-	143.11899	134.1
[M+Na-2H]-	165.10094	137.2
[M]+	144.12572	134.6
[M]-	144.12682	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe