CID 54159794

4,7-methano-1h-indene-5-acetaldehyde, octahydro-

Structural Information

Molecular Formula
C12H18O
SMILES
C1CC2C(C1)C3CC2CC3CC=O
InChI
InChI=1S/C12H18O/c13-5-4-8-6-9-7-12(8)11-3-1-2-10(9)11/h5,8-12H,1-4,6-7H2
InChIKey
BFTAXJRKNXWMMX-UHFFFAOYSA-N
Compound name
2-(8-tricyclo[5.2.1.02,6]decanyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

35
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 145.7
[M+Na]+ 201.12499 152.5
[M-H]- 177.12849 149.2
[M+NH4]+ 196.16959 173.6
[M+K]+ 217.09893 149.5
[M+H-H2O]+ 161.13303 142.2
[M+HCOO]- 223.13397 165.4
[M+CH3COO]- 237.14962 158.7
[M+Na-2H]- 199.11044 146.0
[M]+ 178.13522 144.1
[M]- 178.13632 144.1
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