CID 94289

2-ethylhexyl carbamate

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCCCC(CC)COC(=O)N

InChI

InChI=1S/C9H19NO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)

InChIKey

OZDFMZUKOBBNHM-UHFFFAOYSA-N

Compound name

2-ethylhexyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 617
Patents: 173.14159 Da
Monoisotopic Mass: 3.1
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	141.6
[M+Na]+	196.13081	149.4
[M+NH4]+	191.17541	148.2
[M+K]+	212.10475	144.9
[M-H]-	172.13431	140.4
[M+Na-2H]-	194.11626	143.4
[M]+	173.14104	141.9
[M]-	173.14214	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe