CID 76034

Urea, tetrakis(hydroxymethyl)-

Structural Information

Molecular Formula

C₅H₁₂N₂O₅

SMILES

C(N(CO)C(=O)N(CO)CO)O

InChI

InChI=1S/C5H12N2O5/c8-1-6(2-9)5(12)7(3-10)4-11/h8-11H,1-4H2

InChIKey

AKTDWFLTNDPLCH-UHFFFAOYSA-N

Compound name

1,1,3,3-tetrakis(hydroxymethyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2415
Patents: 180.07462 Da
Monoisotopic Mass: -2.6
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]+	181.08190	137.3
[M+Na]+	203.06384	141.9
[M+NH4]+	198.10844	141.4
[M+K]+	219.03778	141.7
[M-H]-	179.06734	133.7
[M+Na-2H]-	201.04929	137.1
[M]+	180.07407	136.0
[M]-	180.07517	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe