CID 212822

Urea, (3,5-dimethylbenzyl)-

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

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

InChI

InChI=1S/C10H14N2O/c1-7-3-8(2)5-9(4-7)6-12-10(11)13/h3-5H,6H2,1-2H3,(H3,11,12,13)

InChIKey

SHTCSERBLXIPEX-UHFFFAOYSA-N

Compound name

(3,5-dimethylphenyl)methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 178.11061 Da
Monoisotopic Mass: 1.2
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]+	179.11789	139.4
[M+Na]+	201.09983	146.6
[M-H]-	177.10333	143.0
[M+NH4]+	196.14443	159.1
[M+K]+	217.07377	144.4
[M+H-H2O]+	161.10787	133.3
[M+HCOO]-	223.10881	164.4
[M+CH3COO]-	237.12446	187.1
[M+Na-2H]-	199.08528	143.8
[M]+	178.11006	137.9
[M]-	178.11116	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe