CID 14165820

7a-hydroxy-4(15),11(13)-eudesmadien-12-al

Structural Information

Molecular Formula
C15H22O2
SMILES
CC12CCCC(=C)C1CC(CC2)(C(=C)C=O)O
InChI
InChI=1S/C15H22O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h10,13,17H,1-2,4-9H2,3H3
InChIKey
VRDBEJGMTYROKE-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 155.1
[M+Na]+ 257.15121 160.2
[M-H]- 233.15471 157.1
[M+NH4]+ 252.19581 177.1
[M+K]+ 273.12515 156.4
[M+H-H2O]+ 217.15925 150.7
[M+HCOO]- 279.16019 168.6
[M+CH3COO]- 293.17584 190.1
[M+Na-2H]- 255.13666 157.7
[M]+ 234.16144 148.5
[M]- 234.16254 148.5
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

No patent data available for this compound.