CID 297009

33993-24-7

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

C1CC1C(=O)OC(=O)C2CC2

InChI

InChI=1S/C8H10O3/c9-7(5-1-2-5)11-8(10)6-3-4-6/h5-6H,1-4H2

InChIKey

LZEPOJMTQYNFTR-UHFFFAOYSA-N

Compound name

cyclopropanecarbonyl cyclopropanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 816
Patents: 154.06299 Da
Monoisotopic Mass: 0.8
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]+	155.070266	142.2
[M+Na]+	177.052208	149.6
[M-H]-	153.055714	149.5
[M+NH4]+	172.096813	151.6
[M+K]+	193.026148	148.6
[M+H-H2O]+	137.060250	136.5
[M+HCOO]-	199.061191	162.0
[M+CH3COO]-	213.076841	188.5
[M+Na-2H]-	175.037656	144.7
[M]+	154.06244142	146.7
[M]-	154.06353858	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe