CID 21197440

(4-tert-butylphenyl)urea

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

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

InChI

InChI=1S/C11H16N2O/c1-11(2,3)8-4-6-9(7-5-8)13-10(12)14/h4-7H,1-3H3,(H3,12,13,14)

InChIKey

APUKPRMBZKSZMB-UHFFFAOYSA-N

Compound name

(4-tert-butylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 192.12627 Da
Monoisotopic Mass: 2.5
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	144.6
[M+Na]+	215.11549	154.6
[M+NH4]+	210.16009	152.1
[M+K]+	231.08943	149.7
[M-H]-	191.11899	146.6
[M+Na-2H]-	213.10094	150.4
[M]+	192.12572	146.4
[M]-	192.12682	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe