CID 86822

19070-63-4

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

C1CC(OC1)COCC2CO2

InChI

InChI=1S/C8H14O3/c1-2-7(10-3-1)4-9-5-8-6-11-8/h7-8H,1-6H2

InChIKey

BTBGDFGJZOTWNA-UHFFFAOYSA-N

Compound name

2-(oxiran-2-ylmethoxymethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 177
Patents: 158.0943 Da
Monoisotopic Mass: 0.2
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]+	159.101576	131.6
[M+Na]+	181.083518	139.4
[M-H]-	157.087024	139.9
[M+NH4]+	176.128123	146.6
[M+K]+	197.057458	140.8
[M+H-H2O]+	141.091560	125.6
[M+HCOO]-	203.092501	153.0
[M+CH3COO]-	217.108151	177.5
[M+Na-2H]-	179.068966	138.6
[M]+	158.09375142	135.7
[M]-	158.09484858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe