CID 66600706

Schembl117491

Structural Information

Molecular Formula

C₁₃H₂₂O₂

SMILES

CC1C=C(CCC12CCCOC2OC)C

InChI

InChI=1S/C13H22O2/c1-10-5-7-13(11(2)9-10)6-4-8-15-12(13)14-3/h9,11-12H,4-8H2,1-3H3

InChIKey

FGEXTGIAINVPIO-UHFFFAOYSA-N

Compound name

1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 210.16199 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]+	211.169266	148.3
[M+Na]+	233.151208	153.8
[M-H]-	209.154714	154.0
[M+NH4]+	228.195813	168.3
[M+K]+	249.125148	153.4
[M+H-H2O]+	193.159250	142.3
[M+HCOO]-	255.160191	165.3
[M+CH3COO]-	269.175841	186.9
[M+Na-2H]-	231.136656	153.1
[M]+	210.16144142	145.2
[M]-	210.16253858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe