CID 130706536

Decahydronaphthalene-4a-carbaldehyde, mixture of diastereomers

Structural Information

Molecular Formula
C11H18O
SMILES
C1CCC2(CCCCC2C1)C=O
InChI
InChI=1S/C11H18O/c12-9-11-7-3-1-5-10(11)6-2-4-8-11/h9-10H,1-8H2
InChIKey
LKVCCPRUOCVGPE-UHFFFAOYSA-N
Compound name
2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 138.5
[M+Na]+ 189.12499 142.4
[M-H]- 165.12849 141.4
[M+NH4]+ 184.16959 161.4
[M+K]+ 205.09893 140.4
[M+H-H2O]+ 149.13303 132.8
[M+HCOO]- 211.13397 155.3
[M+CH3COO]- 225.14962 177.4
[M+Na-2H]- 187.11044 144.6
[M]+ 166.13522 131.5
[M]- 166.13632 131.5
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

No patent data available for this compound.