CID 3707392

3-amino-5-ethyl-5-methylimidazolidine-2,4-dione

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

CCC1(C(=O)N(C(=O)N1)N)C

InChI

InChI=1S/C6H11N3O2/c1-3-6(2)4(10)9(7)5(11)8-6/h3,7H2,1-2H3,(H,8,11)

InChIKey

PXVDMBBBYFDCPO-UHFFFAOYSA-N

Compound name

3-amino-5-ethyl-5-methylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.08513 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]+	158.09241	130.8
[M+Na]+	180.07435	140.3
[M-H]-	156.07785	130.6
[M+NH4]+	175.11895	152.1
[M+K]+	196.04829	138.3
[M+H-H2O]+	140.08239	125.7
[M+HCOO]-	202.08333	151.3
[M+CH3COO]-	216.09898	175.5
[M+Na-2H]-	178.05980	134.4
[M]+	157.08458	127.8
[M]-	157.08568	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe