CID 115843

4,7-methano-1h-indene-2-methanol, octahydro-, formate

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

C1CC2CC1C3C2CC(C3)COC=O

InChI

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

InChIKey

IHJLODXRSVOCFK-UHFFFAOYSA-N

Compound name

4-tricyclo[5.2.1.02,6]decanylmethyl formate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 194.13068 Da
Monoisotopic Mass: 3.1
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]+	195.137956	148.3
[M+Na]+	217.119898	155.0
[M-H]-	193.123404	151.8
[M+NH4]+	212.164503	175.5
[M+K]+	233.093838	152.5
[M+H-H2O]+	177.127940	144.8
[M+HCOO]-	239.128881	168.1
[M+CH3COO]-	253.144531	184.8
[M+Na-2H]-	215.105346	148.8
[M]+	194.13013142	148.1
[M]-	194.13122858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe