CID 165368735

(3s)-3-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-4-methylidenecyclohexan-1-one

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CC(=CCC1C(O1)(C)[C@H]2CC(=O)CCC2=C)C

InChI

InChI=1S/C15H22O2/c1-10(2)5-8-14-15(4,17-14)13-9-12(16)7-6-11(13)3/h5,13-14H,3,6-9H2,1-2,4H3/t13-,14?,15?/m0/s1

InChIKey

SRMVXSMAPQIPBH-NFOMZHRRSA-N

Compound name

(3S)-4-methylidene-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.16199 Da
Monoisotopic Mass: 2.4
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]+	235.169266	153.6
[M+Na]+	257.151208	161.7
[M-H]-	233.154714	161.6
[M+NH4]+	252.195813	167.9
[M+K]+	273.125148	159.9
[M+H-H2O]+	217.159250	148.3
[M+HCOO]-	279.160191	171.0
[M+CH3COO]-	293.175841	196.5
[M+Na-2H]-	255.136656	155.5
[M]+	234.16144142	155.1
[M]-	234.16253858	155.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.