CID 202712

Urea, (2,2-dimethylvaleryl)-

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C8H16N2O2/c1-4-5-8(2,3)6(11)10-7(9)12/h4-5H2,1-3H3,(H3,9,10,11,12)

InChIKey

GKFQYYGALVVKKQ-UHFFFAOYSA-N

Compound name

N-carbamoyl-2,2-dimethylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.12119 Da
Monoisotopic Mass: 1.6
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]+	173.12847	140.3
[M+Na]+	195.11041	145.7
[M-H]-	171.11391	140.2
[M+NH4]+	190.15501	159.9
[M+K]+	211.08435	145.6
[M+H-H2O]+	155.11845	135.3
[M+HCOO]-	217.11939	162.2
[M+CH3COO]-	231.13504	185.1
[M+Na-2H]-	193.09586	143.8
[M]+	172.12064	139.2
[M]-	172.12174	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe