CID 131631933

4-[(oxiran-2-yl)methyl]oxan-4-ol

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

C1COCCC1(CC2CO2)O

InChI

InChI=1S/C8H14O3/c9-8(5-7-6-11-7)1-3-10-4-2-8/h7,9H,1-6H2

InChIKey

KLRMJNVQRFMHEJ-UHFFFAOYSA-N

Compound name

4-(oxiran-2-ylmethyl)oxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	132.9
[M+Na]+	181.083518	140.1
[M-H]-	157.087024	140.1
[M+NH4]+	176.128123	147.4
[M+K]+	197.057458	142.1
[M+H-H2O]+	141.091560	127.3
[M+HCOO]-	203.092501	150.6
[M+CH3COO]-	217.108151	174.8
[M+Na-2H]-	179.068966	141.7
[M]+	158.09375142	133.8
[M]-	158.09484858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.