CID 67339971

1001180-78-4

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

CCOC(=O)C1C(=O)CCC1(C)C

InChI

InChI=1S/C10H16O3/c1-4-13-9(12)8-7(11)5-6-10(8,2)3/h8H,4-6H2,1-3H3

InChIKey

CDOYMQTVAXPCPY-UHFFFAOYSA-N

Compound name

ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 184.10994 Da
Monoisotopic Mass: 1.7
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	138.6
[M+Na]+	207.09916	146.6
[M-H]-	183.10266	142.5
[M+NH4]+	202.14376	162.7
[M+K]+	223.07310	146.0
[M+H-H2O]+	167.10720	134.9
[M+HCOO]-	229.10814	160.8
[M+CH3COO]-	243.12379	181.5
[M+Na-2H]-	205.08461	141.2
[M]+	184.10939	140.1
[M]-	184.11049	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe