CID 18616717

98431-45-9

Structural Information

Molecular Formula

C₇H₁₁IO₂

SMILES

CCOC(=O)C1CC(C1)I

InChI

InChI=1S/C7H11IO2/c1-2-10-7(9)5-3-6(8)4-5/h5-6H,2-4H2,1H3

InChIKey

HEDYPDQJMPOVDO-UHFFFAOYSA-N

Compound name

ethyl 3-iodocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 253.98038 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]+	254.98766	138.3
[M+Na]+	276.96960	137.4
[M-H]-	252.97310	135.2
[M+NH4]+	272.01420	148.8
[M+K]+	292.94354	145.6
[M+H-H2O]+	236.97764	125.3
[M+HCOO]-	298.97858	154.6
[M+CH3COO]-	312.99423	187.5
[M+Na-2H]-	274.95505	130.4
[M]+	253.97983	144.6
[M]-	253.98093	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe