CID 524298

73956-40-8

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(CC2CCC1C2)C(=O)OC

InChI

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

InChIKey

AINYFZUYWPYGJW-UHFFFAOYSA-N

Compound name

methyl 2-methylbicyclo[2.2.1]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
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	140.0
[M+Na]+	191.10426	147.4
[M-H]-	167.10776	142.9
[M+NH4]+	186.14886	167.7
[M+K]+	207.07820	146.1
[M+H-H2O]+	151.11230	136.6
[M+HCOO]-	213.11324	160.5
[M+CH3COO]-	227.12889	178.6
[M+Na-2H]-	189.08971	143.2
[M]+	168.11449	140.2
[M]-	168.11559	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe