CID 31341

126-15-8

Structural Information

Molecular Formula
C13H16O2
SMILES
C1C=CCC2C1C3CC=CCC3(O2)C=O
InChI
InChI=1S/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2
InChIKey
XNYGOEGATLFFOX-UHFFFAOYSA-N
Compound name
4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

999
Patents

204.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 144.2
[M+Na]+ 227.104258 150.9
[M-H]- 203.107764 149.4
[M+NH4]+ 222.148863 167.5
[M+K]+ 243.078198 148.6
[M+H-H2O]+ 187.112300 138.7
[M+HCOO]- 249.113241 161.8
[M+CH3COO]- 263.128891 156.9
[M+Na-2H]- 225.089706 150.8
[M]+ 204.11449142 141.4
[M]- 204.11558858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe