CID 210410

Urea, 1,1-dimethyl-3-ethyl-

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CCNC(=O)N(C)C

InChI

InChI=1S/C5H12N2O/c1-4-6-5(8)7(2)3/h4H2,1-3H3,(H,6,8)

InChIKey

HYTCSCBDAFJMIP-UHFFFAOYSA-N

Compound name

3-ethyl-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1373
Patents: 116.09496 Da
Monoisotopic Mass: -0.1
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]+	117.10224	125.0
[M+Na]+	139.08418	131.3
[M-H]-	115.08768	127.0
[M+NH4]+	134.12878	147.8
[M+K]+	155.05812	133.0
[M+H-H2O]+	99.092220	119.7
[M+HCOO]-	161.09316	151.1
[M+CH3COO]-	175.10881	177.9
[M+Na-2H]-	137.06963	130.9
[M]+	116.09441	125.4
[M]-	116.09551	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe