CID 89522318

4,7-methano-1h-indene-5-carboxaldehyde, octahydro-6-methyl-

Structural Information

Molecular Formula
C12H18O
SMILES
CC1C2CC(C1C=O)C3C2CCC3
InChI
InChI=1S/C12H18O/c1-7-10-5-11(12(7)6-13)9-4-2-3-8(9)10/h6-12H,2-5H2,1H3
InChIKey
QAJOFHCKLGLYPO-UHFFFAOYSA-N
Compound name
9-methyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

178.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 141.0
[M+Na]+ 201.12499 149.1
[M+NH4]+ 196.16959 151.4
[M+K]+ 217.09893 148.1
[M-H]- 177.12849 141.8
[M+Na-2H]- 199.11044 140.5
[M]+ 178.13522 142.1
[M]- 178.13632 142.1
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