CID 200490

Octylurea

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CCCCCCCCNC(=O)N

InChI

InChI=1S/C9H20N2O/c1-2-3-4-5-6-7-8-11-9(10)12/h2-8H2,1H3,(H3,10,11,12)

InChIKey

UBBIDOUCHSVOFY-UHFFFAOYSA-N

Compound name

octylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 887
Patents: 172.15756 Da
Monoisotopic Mass: 2.4
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]+	173.16484	142.1
[M+Na]+	195.14678	149.4
[M+NH4]+	190.19138	148.8
[M+K]+	211.12072	144.0
[M-H]-	171.15028	141.9
[M+Na-2H]-	193.13223	144.3
[M]+	172.15701	142.6
[M]-	172.15811	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe