CID 95627

33061-37-9

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC(CC1=CC=CC=C1)NC(=O)N

InChI

InChI=1S/C10H14N2O/c1-8(12-10(11)13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H3,11,12,13)

InChIKey

MINRAHHYKBIQPJ-UHFFFAOYSA-N

Compound name

1-phenylpropan-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 9
Patents: 178.11061 Da
Monoisotopic Mass: 1.4
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	140.3
[M+Na]+	201.09983	145.3
[M-H]-	177.10333	143.2
[M+NH4]+	196.14443	159.3
[M+K]+	217.07377	143.6
[M+H-H2O]+	161.10787	133.7
[M+HCOO]-	223.10881	164.4
[M+CH3COO]-	237.12446	185.7
[M+Na-2H]-	199.08528	144.9
[M]+	178.11006	137.4
[M]-	178.11116	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe