CID 85239007

10beta-12,13-dinor-8-oxo-6-eremophilen-11-al

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1CCCC2C1(C=C(C(=O)C2)C=O)C
InChI
InChI=1S/C13H18O2/c1-9-4-3-5-11-6-12(15)10(8-14)7-13(9,11)2/h7-9,11H,3-6H2,1-2H3
InChIKey
QJHOMNLQPDCBJF-UHFFFAOYSA-N
Compound name
8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 144.7
[M+Na]+ 229.119898 152.0
[M-H]- 205.123404 148.9
[M+NH4]+ 224.164503 167.1
[M+K]+ 245.093838 149.3
[M+H-H2O]+ 189.127940 139.6
[M+HCOO]- 251.128881 162.8
[M+CH3COO]- 265.144531 187.6
[M+Na-2H]- 227.105346 149.2
[M]+ 206.13013142 142.0
[M]- 206.13122858 142.0
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

No patent data available for this compound.