CID 303959

13949-98-9

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CCOC(=O)C1C2C1C(=O)CCC2

InChI

InChI=1S/C10H14O3/c1-2-13-10(12)9-6-4-3-5-7(11)8(6)9/h6,8-9H,2-5H2,1H3

InChIKey

CZSYBCSTFANLEL-UHFFFAOYSA-N

Compound name

ethyl 2-oxobicyclo[4.1.0]heptane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5
Patents: 182.0943 Da
Monoisotopic Mass: 0.9
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	140.2
[M+Na]+	205.083518	149.2
[M-H]-	181.087024	145.4
[M+NH4]+	200.128123	156.6
[M+K]+	221.057458	146.8
[M+H-H2O]+	165.091560	134.6
[M+HCOO]-	227.092501	159.9
[M+CH3COO]-	241.108151	185.6
[M+Na-2H]-	203.068966	144.4
[M]+	182.09375142	143.0
[M]-	182.09484858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe