CID 106823962

5-ethoxyspiro[2.3]hexane-1-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCOC1CC2(C1)CC2C(=O)O

InChI

InChI=1S/C9H14O3/c1-2-12-6-3-9(4-6)5-7(9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)

InChIKey

JXHHGQSEZADPBM-UHFFFAOYSA-N

Compound name

5-ethoxyspiro[2.3]hexane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0943 Da
Monoisotopic Mass: 0.8
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]+	171.101576	135.3
[M+Na]+	193.083518	143.1
[M-H]-	169.087024	140.9
[M+NH4]+	188.128123	146.6
[M+K]+	209.057458	144.5
[M+H-H2O]+	153.091560	126.6
[M+HCOO]-	215.092501	154.6
[M+CH3COO]-	229.108151	183.8
[M+Na-2H]-	191.068966	140.4
[M]+	170.09375142	146.8
[M]-	170.09484858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.