CID 533443

Ethyl spiro[2.3]hexane-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CCOC(=O)C1CC12CCC2

InChI

InChI=1S/C9H14O2/c1-2-11-8(10)7-6-9(7)4-3-5-9/h7H,2-6H2,1H3

InChIKey

NMHNCGKWEZUMIX-UHFFFAOYSA-N

Compound name

ethyl spiro[2.3]hexane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 154.09938 Da
Monoisotopic Mass: 2.1
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]+	155.106656	132.7
[M+Na]+	177.088598	140.4
[M-H]-	153.092104	139.5
[M+NH4]+	172.133203	145.2
[M+K]+	193.062538	142.4
[M+H-H2O]+	137.096640	123.7
[M+HCOO]-	199.097581	153.5
[M+CH3COO]-	213.113231	182.8
[M+Na-2H]-	175.074046	138.9
[M]+	154.09883142	144.1
[M]-	154.09992858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe