CID 3776055

Chembl1818399

Structural Information

Molecular Formula

C₁₄H₂₄N₂O

SMILES

CCCNC(=O)NC1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C14H24N2O/c1-2-3-15-14(17)16-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,2-8H2,1H3,(H2,15,16,17)

InChIKey

HSUOIXNNQDJNBE-UHFFFAOYSA-N

Compound name

1-(2-adamantyl)-3-propylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 236.18886 Da
Monoisotopic Mass: 2.6
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]+	237.19614	154.2
[M+Na]+	259.17808	153.9
[M-H]-	235.18158	148.8
[M+NH4]+	254.22268	176.4
[M+K]+	275.15202	151.3
[M+H-H2O]+	219.18612	148.5
[M+HCOO]-	281.18706	162.2
[M+CH3COO]-	295.20271	161.7
[M+Na-2H]-	257.16353	163.2
[M]+	236.18831	153.0
[M]-	236.18941	153.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.