CID 95700

Morpholinomethylurea

Structural Information

Molecular Formula

C₆H₁₃N₃O₂

SMILES

C1COCCN1CNC(=O)N

InChI

InChI=1S/C6H13N3O2/c7-6(10)8-5-9-1-3-11-4-2-9/h1-5H2,(H3,7,8,10)

InChIKey

UBHGRGWVTOAFDL-UHFFFAOYSA-N

Compound name

morpholin-4-ylmethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 159.10077 Da
Monoisotopic Mass: -1.3
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]+	160.108046	134.5
[M+Na]+	182.089988	138.4
[M-H]-	158.093494	136.0
[M+NH4]+	177.134593	151.3
[M+K]+	198.063928	139.1
[M+H-H2O]+	142.098030	127.2
[M+HCOO]-	204.098971	154.5
[M+CH3COO]-	218.114621	178.6
[M+Na-2H]-	180.075436	140.5
[M]+	159.10022142	129.0
[M]-	159.10131858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe