CID 177802011

Methyl 2-methyl-6-oxospiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC1(CC2(C1)CC(=O)C2)C(=O)OC

InChI

InChI=1S/C10H14O3/c1-9(8(12)13-2)5-10(6-9)3-7(11)4-10/h3-6H2,1-2H3

InChIKey

CQMGJTAHQIJFIM-UHFFFAOYSA-N

Compound name

methyl 2-methyl-6-oxospiro[3.3]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 Da
Monoisotopic Mass: 0.5
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]+	183.101576	133.7
[M+Na]+	205.083518	139.0
[M-H]-	181.087024	139.7
[M+NH4]+	200.128123	144.3
[M+K]+	221.057458	143.7
[M+H-H2O]+	165.091560	122.7
[M+HCOO]-	227.092501	151.6
[M+CH3COO]-	241.108151	193.1
[M+Na-2H]-	203.068966	138.9
[M]+	182.09375142	150.8
[M]-	182.09484858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.