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 157.8
[M+Na]+ 257.15121 167.1
[M+NH4]+ 252.19581 168.5
[M+K]+ 273.12515 157.0
[M-H]- 233.15471 158.8
[M+Na-2H]- 255.13666 162.4
[M]+ 234.16144 159.4
[M]- 234.16254 159.4
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.