CID 103719

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

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

COC1CC2CC1C3C2CC=C3

InChI

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

InChIKey

QGIIMMFKVVKYGH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 44
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	139.8
[M+Na]+	187.10934	147.9
[M-H]-	163.11284	144.0
[M+NH4]+	182.15394	168.5
[M+K]+	203.08328	145.6
[M+H-H2O]+	147.11738	136.5
[M+HCOO]-	209.11832	161.2
[M+CH3COO]-	223.13397	153.9
[M+Na-2H]-	185.09479	141.8
[M]+	164.11957	140.1
[M]-	164.12067	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe