CID 3035278

2-norbornanecarboxylic acid, 5,6-epoxy-, ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CCOC(=O)C1CC2CC1C3C2O3

InChI

InChI=1S/C10H14O3/c1-2-12-10(11)7-4-5-3-6(7)9-8(5)13-9/h5-9H,2-4H2,1H3

InChIKey

DKVJAOMZYNDXCB-UHFFFAOYSA-N

Compound name

ethyl 3-oxatricyclo[3.2.1.02,4]octane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 182.0943 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]+	183.101576	139.9
[M+Na]+	205.083518	150.2
[M-H]-	181.087024	145.3
[M+NH4]+	200.128123	159.9
[M+K]+	221.057458	148.0
[M+H-H2O]+	165.091560	136.3
[M+HCOO]-	227.092501	158.5
[M+CH3COO]-	241.108151	185.7
[M+Na-2H]-	203.068966	144.1
[M]+	182.09375142	146.0
[M]-	182.09484858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe