CID 261531

Methyl 2-norbornanecarboxylate

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

COC(=O)C1CC2CCC1C2

InChI

InChI=1S/C9H14O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3

InChIKey

BWGIKEUGPCOETD-UHFFFAOYSA-N

Compound name

methyl bicyclo[2.2.1]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 264
Patents: 154.09938 Da
Monoisotopic Mass: 2.1
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]+	155.10666	135.8
[M+Na]+	177.08860	142.6
[M-H]-	153.09210	138.5
[M+NH4]+	172.13320	162.0
[M+K]+	193.06254	141.7
[M+H-H2O]+	137.09664	131.8
[M+HCOO]-	199.09758	156.7
[M+CH3COO]-	213.11323	176.0
[M+Na-2H]-	175.07405	138.3
[M]+	154.09883	135.3
[M]-	154.09993	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe