CID 20727446

4,7-methano-1h-indene, 3a,4,5,6,7,7a-hexahydro-6-methoxy-

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

COC1CC2CC1C3C2C=CC3

InChI

InChI=1S/C11H16O/c1-12-11-6-7-5-10(11)9-4-2-3-8(7)9/h2-3,7-11H,4-6H2,1H3

InChIKey

BWSXMZBSPFYLHZ-UHFFFAOYSA-N

Compound name

8-methoxytricyclo[5.2.1.02,6]dec-3-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 164.12012 Da
Monoisotopic Mass: 2.1
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]+	165.12740	135.7
[M+Na]+	187.10934	144.5
[M+NH4]+	182.15394	146.6
[M+K]+	203.08328	143.4
[M-H]-	163.11284	136.9
[M+Na-2H]-	185.09479	136.7
[M]+	164.11957	137.1
[M]-	164.12067	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe