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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.169266	155.1
[M+Na]+	257.151208	160.2
[M-H]-	233.154714	157.1
[M+NH4]+	252.195813	177.1
[M+K]+	273.125148	156.4
[M+H-H2O]+	217.159250	150.7
[M+HCOO]-	279.160191	168.6
[M+CH3COO]-	293.175841	190.1
[M+Na-2H]-	255.136656	157.7
[M]+	234.16144142	148.5
[M]-	234.16253858	148.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.