CID 202953

(4-methoxyphenethyl)urea

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

COC1=CC=C(C=C1)CCNC(=O)N

InChI

InChI=1S/C10H14N2O2/c1-14-9-4-2-8(3-5-9)6-7-12-10(11)13/h2-5H,6-7H2,1H3,(H3,11,12,13)

InChIKey

HMHATGJEFZCVSI-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)ethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 194.10553 Da
Monoisotopic Mass: 0.9
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]+	195.11281	142.3
[M+Na]+	217.09475	148.5
[M-H]-	193.09825	145.5
[M+NH4]+	212.13935	161.0
[M+K]+	233.06869	146.8
[M+H-H2O]+	177.10279	135.7
[M+HCOO]-	239.10373	167.6
[M+CH3COO]-	253.11938	188.1
[M+Na-2H]-	215.08020	147.5
[M]+	194.10498	141.9
[M]-	194.10608	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe