CID 87035

2,4-dimethylphenethylurea

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

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

InChI

InChI=1S/C11H16N2O/c1-8-3-4-10(9(2)7-8)5-6-13-11(12)14/h3-4,7H,5-6H2,1-2H3,(H3,12,13,14)

InChIKey

LDSJFIAPYGOFRQ-UHFFFAOYSA-N

Compound name

2-(2,4-dimethylphenyl)ethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.12627 Da
Monoisotopic Mass: 1.7
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]+	193.133546	144.0
[M+Na]+	215.115488	150.8
[M-H]-	191.118994	147.4
[M+NH4]+	210.160093	163.1
[M+K]+	231.089428	148.4
[M+H-H2O]+	175.123530	137.7
[M+HCOO]-	237.124471	168.7
[M+CH3COO]-	251.140121	190.2
[M+Na-2H]-	213.100936	147.9
[M]+	192.12572142	142.8
[M]-	192.12681858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe