CID 72503

6754-20-7

Structural Information

Molecular Formula
C15H22O2
SMILES
C[C@]12CCCC([C@@H]1CC=C([C@@H]2C=O)C=O)(C)C
InChI
InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1
InChIKey
AZJUJOFIHHNCSV-KCQAQPDRSA-N
Compound name
(1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

89
References

2678
Patents

234.16199 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 155.5
[M+Na]+ 257.15121 167.1
[M+NH4]+ 252.19581 167.2
[M+K]+ 273.12515 156.0
[M-H]- 233.15471 157.9
[M+Na-2H]- 255.13666 162.1
[M]+ 234.16144 158.1
[M]- 234.16254 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe