CID 13425224

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

Structural Information

Molecular Formula
C11H16O
SMILES
COC1C=CC2C1C3CCC2C3
InChI
InChI=1S/C11H16O/c1-12-10-5-4-9-7-2-3-8(6-7)11(9)10/h4-5,7-11H,2-3,6H2,1H3
InChIKey
SIARUXURUGLXOZ-UHFFFAOYSA-N
Compound name
5-methoxytricyclo[5.2.1.02,6]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

56
Patents

164.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 139.8
[M+Na]+ 187.109338 147.9
[M-H]- 163.112844 144.0
[M+NH4]+ 182.153943 168.5
[M+K]+ 203.083278 145.6
[M+H-H2O]+ 147.117380 136.5
[M+HCOO]- 209.118321 161.2
[M+CH3COO]- 223.133971 153.9
[M+Na-2H]- 185.094786 141.8
[M]+ 164.11957142 140.1
[M]- 164.12066858 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe