CID 3504626

Lubimin

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC1CC(CC(C12CCC(C2)C(=C)C)C=O)O

InChI

InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3

InChIKey

CEVNHRPKRNTGKO-UHFFFAOYSA-N

Compound name

8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 23
Patents: 236.17763 Da
Monoisotopic Mass: 3.4
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]+	237.18491	157.4
[M+Na]+	259.16685	162.7
[M-H]-	235.17035	161.0
[M+NH4]+	254.21145	178.9
[M+K]+	275.14079	159.0
[M+H-H2O]+	219.17489	152.9
[M+HCOO]-	281.17583	173.2
[M+CH3COO]-	295.19148	190.8
[M+Na-2H]-	257.15230	155.8
[M]+	236.17708	151.6
[M]-	236.17818	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe