CID 177072

Dehydrofukinone

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

C[C@H]1CCCC2=CC(=O)C(=C(C)C)C[C@]12C

InChI

InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11H,5-7,9H2,1-4H3/t11-,15+/m0/s1

InChIKey

DZOKWSREAZGFFC-XHDPSFHLSA-N

Compound name

(4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 12
Patents: 218.16707 Da
Monoisotopic Mass: 4.1
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]+	219.174346	150.4
[M+Na]+	241.156288	156.8
[M-H]-	217.159794	154.4
[M+NH4]+	236.200893	172.4
[M+K]+	257.130228	153.5
[M+H-H2O]+	201.164330	145.4
[M+HCOO]-	263.165271	166.6
[M+CH3COO]-	277.180921	191.8
[M+Na-2H]-	239.141736	152.6
[M]+	218.16652142	146.2
[M]-	218.16761858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe