CID 13370222

Methyl bicyclo(3.2.1)octane-3-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

COC(=O)C1CC2CCC(C2)C1

InChI

InChI=1S/C10H16O2/c1-12-10(11)9-5-7-2-3-8(4-7)6-9/h7-9H,2-6H2,1H3

InChIKey

OZGFUXLMJHLHIZ-UHFFFAOYSA-N

Compound name

methyl bicyclo[3.2.1]octane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 168.11504 Da
Monoisotopic Mass: 2.5
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]+	169.12232	137.2
[M+Na]+	191.10426	146.3
[M+NH4]+	186.14886	146.6
[M+K]+	207.07820	142.3
[M-H]-	167.10776	137.8
[M+Na-2H]-	189.08971	138.9
[M]+	168.11449	138.3
[M]-	168.11559	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe