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

77
Patents

164.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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