CID 12075953

1,7,10-trioxadispiro[2.2.4^{6}.2^{3}]dodecane

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

C1CC2(CCC13CO3)OCCO2

InChI

InChI=1S/C9H14O3/c1-3-9(10-5-6-11-9)4-2-8(1)7-12-8/h1-7H2

InChIKey

XZFZQFOSWXYHDU-UHFFFAOYSA-N

Compound name

2,7,10-trioxadispiro[2.2.46.23]dodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 170.0943 Da
Monoisotopic Mass: 0.4
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]+	171.10158	135.4
[M+Na]+	193.08352	143.2
[M-H]-	169.08702	145.3
[M+NH4]+	188.12812	152.6
[M+K]+	209.05746	147.2
[M+H-H2O]+	153.09156	130.8
[M+HCOO]-	215.09250	151.6
[M+CH3COO]-	229.10815	148.8
[M+Na-2H]-	191.06897	145.1
[M]+	170.09375	135.9
[M]-	170.09485	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe