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: 789
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	142.5
[M+Na]+	196.13081	147.7
[M-H]-	172.13431	141.7
[M+NH4]+	191.17541	162.3
[M+K]+	212.10475	147.0
[M+H-H2O]+	156.13885	136.9
[M+HCOO]-	218.13979	165.4
[M+CH3COO]-	232.15544	183.6
[M+Na-2H]-	194.11626	145.8
[M]+	173.14104	144.5
[M]-	173.14214	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe