CID 4173424

1,1-dimethyl-3-(2,6-xylyl)urea

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)N(C)C

InChI

InChI=1S/C11H16N2O/c1-8-6-5-7-9(2)10(8)12-11(14)13(3)4/h5-7H,1-4H3,(H,12,14)

InChIKey

FKGQOVASLBRUAN-UHFFFAOYSA-N

Compound name

3-(2,6-dimethylphenyl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 192.12627 Da
Monoisotopic Mass: 1.1
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]+	193.13355	143.5
[M+Na]+	215.11549	150.5
[M-H]-	191.11899	149.0
[M+NH4]+	210.16009	163.7
[M+K]+	231.08943	150.0
[M+H-H2O]+	175.12353	137.1
[M+HCOO]-	237.12447	169.4
[M+CH3COO]-	251.14012	193.6
[M+Na-2H]-	213.10094	147.7
[M]+	192.12572	144.6
[M]-	192.12682	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe