CID 3034365

Bis(hydroxymethyl)urea

Structural Information

Molecular Formula

C₃H₈N₂O₃

SMILES

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

InChI

InChI=1S/C3H8N2O3/c4-3(8)5(1-6)2-7/h6-7H,1-2H2,(H2,4,8)

InChIKey

QAGFPFWZCJWYRP-UHFFFAOYSA-N

Compound name

1,1-bis(hydroxymethyl)urea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 10370
Patents: 120.05349 Da
Monoisotopic Mass: -2.0
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]+	121.060766	122.3
[M+Na]+	143.042708	128.3
[M-H]-	119.046214	121.1
[M+NH4]+	138.087313	142.9
[M+K]+	159.016648	129.2
[M+H-H2O]+	103.050750	117.2
[M+HCOO]-	165.051691	145.8
[M+CH3COO]-	179.067341	170.9
[M+Na-2H]-	141.028156	127.0
[M]+	120.05294142	120.0
[M]-	120.05403858	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe