CID 12313013

Mustakone

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

CC1=CC(=O)C2C3C1C2(CCC3C(C)C)C

InChI

InChI=1S/C15H22O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10,12-14H,5-6H2,1-4H3

InChIKey

CTFSUCDHRVDRKG-UHFFFAOYSA-N

Compound name

1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 218.16707 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]+	219.17435	149.2
[M+Na]+	241.15629	156.4
[M+NH4]+	236.20089	157.6
[M+K]+	257.13023	149.2
[M-H]-	217.15979	147.1
[M+Na-2H]-	239.14174	147.4
[M]+	218.16652	148.7
[M]-	218.16762	148.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.