CID 13265889

71913-08-1

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

COC(=O)C1=C(C2CCC1C2)C(=O)O

InChI

InChI=1S/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h5-6H,2-4H2,1H3,(H,11,12)

InChIKey

KONDLVQKCUJIEN-UHFFFAOYSA-N

Compound name

3-methoxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 196.07356 Da
Monoisotopic Mass: 1.2
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]+	197.080836	142.9
[M+Na]+	219.062778	150.5
[M-H]-	195.066284	145.0
[M+NH4]+	214.107383	166.8
[M+K]+	235.036718	149.3
[M+H-H2O]+	179.070820	139.5
[M+HCOO]-	241.071761	163.0
[M+CH3COO]-	255.087411	181.4
[M+Na-2H]-	217.048226	144.0
[M]+	196.07301142	144.4
[M]-	196.07410858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe