CID 11446308

60754-31-6

Structural Information

Molecular Formula

C₃H₇N₃O₂

SMILES

CN(C(=O)N)C(=O)N

InChI

InChI=1S/C3H7N3O2/c1-6(2(4)7)3(5)8/h1H3,(H2,4,7)(H2,5,8)

InChIKey

BTUIPMFAUUCTCW-UHFFFAOYSA-N

Compound name

1-carbamoyl-1-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 117.053825 Da
Monoisotopic Mass: -0.5
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]+	118.06110	122.2
[M+Na]+	140.04304	128.5
[M-H]-	116.04655	123.5
[M+NH4]+	135.08765	143.7
[M+K]+	156.01698	130.3
[M+H-H2O]+	100.05108	116.6
[M+HCOO]-	162.05203	148.1
[M+CH3COO]-	176.06768	177.6
[M+Na-2H]-	138.02849	125.8
[M]+	117.05328	119.0
[M]-	117.05437	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe