CID 217635

39079-58-8

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

C1CC(OCC1C2CO2)C3CO3

InChI

InChI=1S/C9H14O3/c1-2-7(9-5-12-9)10-3-6(1)8-4-11-8/h6-9H,1-5H2

InChIKey

VOPZIIJKXUKTCS-UHFFFAOYSA-N

Compound name

2,5-bis(oxiran-2-yl)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0943 Da
Monoisotopic Mass: 0.3
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	144.9
[M+Na]+	193.08352	151.5
[M-H]-	169.08702	156.1
[M+NH4]+	188.12812	150.5
[M+K]+	209.05746	155.3
[M+H-H2O]+	153.09156	137.8
[M+HCOO]-	215.09250	160.4
[M+CH3COO]-	229.10815	155.6
[M+Na-2H]-	191.06897	150.5
[M]+	170.09375	148.5
[M]-	170.09485	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe