CID 91820330

2-dehydrolubimin

Structural Information

Molecular Formula
C15H22O2
SMILES
C[C@@H]1CC(=O)C[C@@H]([C@]12CC[C@H](C2)C(=C)C)C=O
InChI
InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-13H,1,4-8H2,2-3H3/t11-,12-,13-,15+/m1/s1
InChIKey
RXSSJEZNYYKUBE-BHPKHCPMSA-N
Compound name
(3R,5S,6R,10S)-6-methyl-8-oxo-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
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]+ 235.169266 155.0
[M+Na]+ 257.151208 161.0
[M-H]- 233.154714 160.1
[M+NH4]+ 252.195813 177.2
[M+K]+ 273.125148 157.7
[M+H-H2O]+ 217.159250 150.3
[M+HCOO]- 279.160191 172.5
[M+CH3COO]- 293.175841 192.5
[M+Na-2H]- 255.136656 153.9
[M]+ 234.16144142 150.4
[M]- 234.16253858 150.4
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.