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
3
Annotation Hits

0
References

27
Patents

178.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.143046 145.2
[M+Na]+ 201.124988 153.0
[M-H]- 177.128494 149.1
[M+NH4]+ 196.169593 173.4
[M+K]+ 217.098928 149.9
[M+H-H2O]+ 161.133030 142.2
[M+HCOO]- 223.133971 164.9
[M+CH3COO]- 237.149621 158.6
[M+Na-2H]- 199.110436 145.0
[M]+ 178.13522142 144.0
[M]- 178.13631858 144.0
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