CID 13370222

95685-35-1

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: 4
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	138.0
[M+Na]+	191.10426	143.5
[M-H]-	167.10776	140.2
[M+NH4]+	186.14886	161.8
[M+K]+	207.07820	142.2
[M+H-H2O]+	151.11230	133.3
[M+HCOO]-	213.11324	156.4
[M+CH3COO]-	227.12889	178.9
[M+Na-2H]-	189.08971	141.4
[M]+	168.11449	135.7
[M]-	168.11559	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe