CID 112904

62641-29-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

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

InChI

InChI=1S/C11H16N2O/c1-2-3-9-13(11(12)14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,14)

InChIKey

GOGYHVOOMHFPAC-UHFFFAOYSA-N

Compound name

1-butyl-1-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 192.12627 Da
Monoisotopic Mass: 2.0
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	149.6
[M-H]-	191.11899	148.7
[M+NH4]+	210.16009	163.7
[M+K]+	231.08943	148.6
[M+H-H2O]+	175.12353	137.6
[M+HCOO]-	237.12447	169.9
[M+CH3COO]-	251.14012	191.3
[M+Na-2H]-	213.10094	149.2
[M]+	192.12572	143.9
[M]-	192.12682	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe