CID 61645

Methylenediurea

Structural Information

Molecular Formula

C₃H₈N₄O₂

SMILES

C(NC(=O)N)NC(=O)N

InChI

InChI=1S/C3H8N4O2/c4-2(8)6-1-7-3(5)9/h1H2,(H3,4,6,8)(H3,5,7,9)

InChIKey

KQVLODRFGIKJHZ-UHFFFAOYSA-N

Compound name

(carbamoylamino)methylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 723
Patents: 132.06473 Da
Monoisotopic Mass: -2.2
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]+	133.07201	124.7
[M+Na]+	155.05395	129.8
[M-H]-	131.05745	124.3
[M+NH4]+	150.09855	144.4
[M+K]+	171.02789	130.3
[M+H-H2O]+	115.06199	118.4
[M+HCOO]-	177.06293	150.9
[M+CH3COO]-	191.07858	179.7
[M+Na-2H]-	153.03940	129.3
[M]+	132.06418	119.4
[M]-	132.06528	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe