CID 54313238

54378-87-9

Structural Information

Molecular Formula

C₉H₁₄O₄

SMILES

CCOC(=O)C1(CCCC1)C(=O)O

InChI

InChI=1S/C9H14O4/c1-2-13-8(12)9(7(10)11)5-3-4-6-9/h2-6H2,1H3,(H,10,11)

InChIKey

SMIYHPHDBDKZTR-UHFFFAOYSA-N

Compound name

1-ethoxycarbonylcyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 186.0892 Da
Monoisotopic Mass: 1.6
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]+	187.09648	142.2
[M+Na]+	209.07842	149.3
[M+NH4]+	204.12302	149.9
[M+K]+	225.05236	146.0
[M-H]-	185.08192	140.6
[M+Na-2H]-	207.06387	145.3
[M]+	186.08865	142.4
[M]-	186.08975	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe