CID 11789638

60585-44-6

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CC1(CC(C(=O)C1)C(=O)OC)C

InChI

InChI=1S/C9H14O3/c1-9(2)4-6(7(10)5-9)8(11)12-3/h6H,4-5H2,1-3H3

InChIKey

XWEUDAXDKUDFMQ-UHFFFAOYSA-N

Compound name

methyl 4,4-dimethyl-2-oxocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 170.0943 Da
Monoisotopic Mass: 1.3
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]+	171.10158	137.2
[M+Na]+	193.08352	146.5
[M+NH4]+	188.12812	146.1
[M+K]+	209.05746	142.0
[M-H]-	169.08702	137.1
[M+Na-2H]-	191.06897	141.4
[M]+	170.09375	138.4
[M]-	170.09485	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe