CID 13050135

Ethyl 1-acetylcyclopentane-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

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

InChI

InChI=1S/C10H16O3/c1-3-13-9(12)10(8(2)11)6-4-5-7-10/h3-7H2,1-2H3

InChIKey

POZMOHUCPZIZCS-UHFFFAOYSA-N

Compound name

ethyl 1-acetylcyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 184.10994 Da
Monoisotopic Mass: 1.8
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]+	185.11722	143.3
[M+Na]+	207.09916	151.3
[M+NH4]+	202.14376	151.8
[M+K]+	223.07310	146.9
[M-H]-	183.10266	142.8
[M+Na-2H]-	205.08461	147.2
[M]+	184.10939	144.0
[M]-	184.11049	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe