CID 87205672

Methyl 4-(2-oxoethyl)cyclohexane-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

COC(=O)C1CCC(CC1)CC=O

InChI

InChI=1S/C10H16O3/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h7-9H,2-6H2,1H3

InChIKey

DJSDSKRFIDCWFD-UHFFFAOYSA-N

Compound name

methyl 4-(2-oxoethyl)cyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 184.10994 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]+	185.11722	141.4
[M+Na]+	207.09916	151.1
[M+NH4]+	202.14376	148.9
[M+K]+	223.07310	145.8
[M-H]-	183.10266	142.0
[M+Na-2H]-	205.08461	145.0
[M]+	184.10939	142.6
[M]-	184.11049	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe