CID 3063444

100861-14-1

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

CC(C1=CC=CC=C1)NNC(=O)N

InChI

InChI=1S/C9H13N3O/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-7,11H,1H3,(H3,10,12,13)

InChIKey

UANSEHOWYWIIMA-UHFFFAOYSA-N

Compound name

(1-phenylethylamino)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 179.10587 Da
Monoisotopic Mass: 0.6
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]+	180.11315	139.0
[M+Na]+	202.09509	143.6
[M-H]-	178.09859	142.0
[M+NH4]+	197.13969	157.5
[M+K]+	218.06903	142.2
[M+H-H2O]+	162.10313	132.1
[M+HCOO]-	224.10407	164.4
[M+CH3COO]-	238.11972	187.8
[M+Na-2H]-	200.08054	144.4
[M]+	179.10532	134.9
[M]-	179.10642	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe