CID 122202450

2019992-04-0

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

COC(=O)OC1C2CCCC1CC2

InChI

InChI=1S/C10H16O3/c1-12-10(11)13-9-7-3-2-4-8(9)6-5-7/h7-9H,2-6H2,1H3

InChIKey

KNMNJFDLLVQHSG-UHFFFAOYSA-N

Compound name

8-bicyclo[3.2.1]octanyl methyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.10994 Da
Monoisotopic Mass: 2.6
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	140.3
[M+Na]+	207.09916	148.9
[M+NH4]+	202.14376	149.1
[M+K]+	223.07310	145.4
[M-H]-	183.10266	140.3
[M+Na-2H]-	205.08461	141.6
[M]+	184.10939	141.2
[M]-	184.11049	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.