CID 20161920

Octahydro-4,7-methano-1h-indenedicarbaldehyde

Structural Information

Molecular Formula
C12H16O2
SMILES
C1CC2CC1C3C2C(CC3)(C=O)C=O
InChI
InChI=1S/C12H16O2/c13-6-12(7-14)4-3-10-8-1-2-9(5-8)11(10)12/h6-11H,1-5H2
InChIKey
WSRVTLYNXTWYRE-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]decane-3,3-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

192.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 147.3
[M+Na]+ 215.104258 155.4
[M-H]- 191.107764 151.1
[M+NH4]+ 210.148863 176.5
[M+K]+ 231.078198 152.0
[M+H-H2O]+ 175.112300 144.3
[M+HCOO]- 237.113241 167.3
[M+CH3COO]- 251.128891 183.4
[M+Na-2H]- 213.089706 149.0
[M]+ 192.11449142 146.7
[M]- 192.11558858 146.7
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