CID 14108777

61661-47-0

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

CC1=CC[C@@]2(CC1)C(=CC(=O)CC2(C)C)C

InChI

InChI=1S/C15H22O/c1-11-5-7-15(8-6-11)12(2)9-13(16)10-14(15,3)4/h5,9H,6-8,10H2,1-4H3/t15-/m1/s1

InChIKey

SNJATGMAHZJTNR-OAHLLOKOSA-N

Compound name

(6R)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.16707 Da
Monoisotopic Mass: 3.1
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]+	219.17435	148.5
[M+Na]+	241.15629	156.4
[M-H]-	217.15979	154.5
[M+NH4]+	236.20089	172.0
[M+K]+	257.13023	153.5
[M+H-H2O]+	201.16433	143.3
[M+HCOO]-	263.16527	167.3
[M+CH3COO]-	277.18092	190.6
[M+Na-2H]-	239.14174	153.0
[M]+	218.16652	145.6
[M]-	218.16762	145.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.