CID 3504625

10-hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one

Structural Information

Molecular Formula

C₁₆H₂₀O₃

SMILES

CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O

InChI

InChI=1S/C16H20O3/c1-9(2)11-7-15(17)16(4,18)13-8-14(19-5)10(3)6-12(11)13/h6-9,18H,1-5H3

InChIKey

VMEKKHYIQYOLHA-UHFFFAOYSA-N

Compound name

1-hydroxy-7-methoxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.14124 Da
Monoisotopic Mass: 2.5
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]+	261.148516	157.1
[M+Na]+	283.130458	167.0
[M-H]-	259.133964	161.3
[M+NH4]+	278.175063	177.4
[M+K]+	299.104398	164.1
[M+H-H2O]+	243.138500	152.2
[M+HCOO]-	305.139441	176.0
[M+CH3COO]-	319.155091	199.3
[M+Na-2H]-	281.115906	160.2
[M]+	260.14069142	160.4
[M]-	260.14178858	160.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.