CID 2757994

Methyl 2-cyclohexyl-3-oxobutanoate

Structural Information

Molecular Formula

C₁₁H₁₈O₃

SMILES

CC(=O)C(C1CCCCC1)C(=O)OC

InChI

InChI=1S/C11H18O3/c1-8(12)10(11(13)14-2)9-6-4-3-5-7-9/h9-10H,3-7H2,1-2H3

InChIKey

NUGGQIWQPPASAV-UHFFFAOYSA-N

Compound name

methyl 2-cyclohexyl-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 198.1256 Da
Monoisotopic Mass: 2.7
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]+	199.13288	146.0
[M+Na]+	221.11482	154.5
[M+NH4]+	216.15942	153.1
[M+K]+	237.08876	150.3
[M-H]-	197.11832	146.1
[M+Na-2H]-	219.10027	148.8
[M]+	198.12505	146.8
[M]-	198.12615	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe