CID 157010007

Oxyglutinosone

Structural Information

Molecular Formula

C₁₄H₂₀O₃

SMILES

CC1C(C(=O)C=C2C1(CC(CC2)C(=C)C)O)O

InChI

InChI=1S/C14H20O3/c1-8(2)10-4-5-11-6-12(15)13(16)9(3)14(11,17)7-10/h6,9-10,13,16-17H,1,4-5,7H2,2-3H3

InChIKey

WTKMNNYAWXFDHL-UHFFFAOYSA-N

Compound name

3,4a-dihydroxy-4-methyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.14125 Da
Monoisotopic Mass: 1.5
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]+	237.148526	153.0
[M+Na]+	259.130468	159.7
[M-H]-	235.133974	154.5
[M+NH4]+	254.175073	173.0
[M+K]+	275.104408	156.1
[M+H-H2O]+	219.138510	148.8
[M+HCOO]-	281.139451	166.8
[M+CH3COO]-	295.155101	190.0
[M+Na-2H]-	257.115916	154.4
[M]+	236.14070142	148.3
[M]-	236.14179858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe