CID 277168

25774-35-0

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1CC(C1)C(=O)OC(=O)C2CCC2

InChI

InChI=1S/C10H14O3/c11-9(7-3-1-4-7)13-10(12)8-5-2-6-8/h7-8H,1-6H2

InChIKey

DLDCKPBXRSRJPV-UHFFFAOYSA-N

Compound name

cyclobutanecarbonyl cyclobutanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 137
Patents: 182.0943 Da
Monoisotopic Mass: 1.9
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	131.5
[M+Na]+	205.083518	133.4
[M-H]-	181.087024	136.9
[M+NH4]+	200.128123	137.4
[M+K]+	221.057458	139.2
[M+H-H2O]+	165.091560	116.5
[M+HCOO]-	227.092501	148.6
[M+CH3COO]-	241.108151	192.6
[M+Na-2H]-	203.068966	133.7
[M]+	182.09375142	146.2
[M]-	182.09484858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe