CID 71038

1218-65-1

Structural Information

Molecular Formula

C₁₆H₂₀O₂

SMILES

C1C2CC(C1C=C2)COC(=O)C3CC4CC3C=C4

InChI

InChI=1S/C16H20O2/c17-16(15-8-11-2-4-13(15)6-11)18-9-14-7-10-1-3-12(14)5-10/h1-4,10-15H,5-9H2

InChIKey

SOSZGLNDFITMMF-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]hept-5-enylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 244.14633 Da
Monoisotopic Mass: 3.2
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]+	245.153606	163.9
[M+Na]+	267.135548	169.9
[M-H]-	243.139054	169.8
[M+NH4]+	262.180153	190.9
[M+K]+	283.109488	167.0
[M+H-H2O]+	227.143590	160.7
[M+HCOO]-	289.144531	183.5
[M+CH3COO]-	303.160181	176.0
[M+Na-2H]-	265.120996	161.2
[M]+	244.14578142	164.9
[M]-	244.14687858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe