CID 5463762

Carbonic acid, 4-cycloocten-1-yl methyl ester

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

COC(=O)OC1CCC/C=C\CC1

InChI

InChI=1S/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3/b3-2-

InChIKey

LDHHCYCOENSXIM-IHWYPQMZSA-N

Compound name

[(4Z)-cyclooct-4-en-1-yl] methyl carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 704
Patents: 184.10994 Da
Monoisotopic Mass: 2.8
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]+	185.11722	142.0
[M+Na]+	207.09916	145.3
[M+NH4]+	202.14376	144.6
[M+K]+	223.07310	145.0
[M-H]-	183.10266	142.4
[M+Na-2H]-	205.08461	145.1
[M]+	184.10939	142.4
[M]-	184.11049	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe