CID 16240

Octyl carbamate

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCCCCCCCOC(=O)N

InChI

InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3,(H2,10,11)

InChIKey

YPNZTHVEMNUDND-UHFFFAOYSA-N

Compound name

octyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 734
Patents: 173.14159 Da
Monoisotopic Mass: 2.8
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]+	174.14887	141.2
[M+Na]+	196.13081	149.3
[M+NH4]+	191.17541	147.9
[M+K]+	212.10475	144.1
[M-H]-	172.13431	140.3
[M+Na-2H]-	194.11626	143.3
[M]+	173.14104	141.7
[M]-	173.14214	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe