CID 2802957

Maybridge3_000901

Structural Information

Molecular Formula

C₁₂H₁₉NO₅

SMILES

CCOC(=O)C1(CCC(=NO)CC1)C(=O)OCC

InChI

InChI=1S/C12H19NO5/c1-3-17-10(14)12(11(15)18-4-2)7-5-9(13-16)6-8-12/h16H,3-8H2,1-2H3

InChIKey

RDPFYDQVESELGV-UHFFFAOYSA-N

Compound name

diethyl 4-hydroxyiminocyclohexane-1,1-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 257.1263 Da
Monoisotopic Mass: 1.2
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]+	258.133576	156.8
[M+Na]+	280.115518	161.1
[M-H]-	256.119024	159.5
[M+NH4]+	275.160123	175.0
[M+K]+	296.089458	161.3
[M+H-H2O]+	240.123560	151.3
[M+HCOO]-	302.124501	176.7
[M+CH3COO]-	316.140151	194.6
[M+Na-2H]-	278.100966	159.3
[M]+	257.12575142	157.2
[M]-	257.12684858	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe