CID 121272464

1894987-71-3

Structural Information

Molecular Formula

C₉H₁₅NO₄

SMILES

CCOC(=O)C1CCC(CC1)[N+](=O)[O-]

InChI

InChI=1S/C9H15NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h7-8H,2-6H2,1H3

InChIKey

VKAWQOZWOJYETD-UHFFFAOYSA-N

Compound name

ethyl 4-nitrocyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 201.10011 Da
Monoisotopic Mass: 1.5
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]+	202.10739	142.5
[M+Na]+	224.08933	152.5
[M+NH4]+	219.13393	149.8
[M+K]+	240.06327	150.4
[M-H]-	200.09283	144.4
[M+Na-2H]-	222.07478	145.8
[M]+	201.09956	144.0
[M]-	201.10066	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe