CID 3034838

68039-78-1

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

C1CC2CC1C3C2C(CC3)COC=O

InChI

InChI=1S/C12H18O2/c13-7-14-6-10-3-4-11-8-1-2-9(5-8)12(10)11/h7-12H,1-6H2

InChIKey

JJOPSNLHZOGEIH-UHFFFAOYSA-N

Compound name

3-tricyclo[5.2.1.02,6]decanylmethyl formate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1
Patents: 194.13068 Da
Monoisotopic Mass: 3.3
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]+	195.13796	148.3
[M+Na]+	217.11990	155.0
[M-H]-	193.12340	151.8
[M+NH4]+	212.16450	175.5
[M+K]+	233.09384	152.5
[M+H-H2O]+	177.12794	144.8
[M+HCOO]-	239.12888	168.1
[M+CH3COO]-	253.14453	184.8
[M+Na-2H]-	215.10535	148.8
[M]+	194.13013	148.1
[M]-	194.13123	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe