CID 38295

5826-73-3

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

COC(=O)C1C2CC(C1C(=O)OC)C=C2

InChI

InChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-9H,5H2,1-2H3

InChIKey

VGQLNJWOULYVFV-UHFFFAOYSA-N

Compound name

dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5187
Patents: 210.0892 Da
Monoisotopic Mass: 1.0
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]+	211.09648	145.9
[M+Na]+	233.07842	153.6
[M+NH4]+	228.12302	153.3
[M+K]+	249.05236	153.4
[M-H]-	209.08192	144.4
[M+Na-2H]-	231.06387	145.7
[M]+	210.08865	146.1
[M]-	210.08975	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe