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
1
Annotation Hits

0
References

10
Patents

192.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 147.3
[M+Na]+ 215.10426 155.4
[M-H]- 191.10776 151.1
[M+NH4]+ 210.14886 176.5
[M+K]+ 231.07820 152.0
[M+H-H2O]+ 175.11230 144.3
[M+HCOO]- 237.11324 167.3
[M+CH3COO]- 251.12889 183.4
[M+Na-2H]- 213.08971 149.0
[M]+ 192.11449 146.7
[M]- 192.11559 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