CID 132327511

3-[(oxiran-2-yl)methyl]oxolan-3-ol

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

C1COCC1(CC2CO2)O

InChI

InChI=1S/C7H12O3/c8-7(1-2-9-5-7)3-6-4-10-6/h6,8H,1-5H2

InChIKey

MFOUOEDGJVAODX-UHFFFAOYSA-N

Compound name

3-(oxiran-2-ylmethyl)oxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 144.07864 Da
Monoisotopic Mass: -0.5
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]+	145.085916	126.4
[M+Na]+	167.067858	134.9
[M-H]-	143.071364	133.9
[M+NH4]+	162.112463	143.2
[M+K]+	183.041798	136.5
[M+H-H2O]+	127.075900	122.0
[M+HCOO]-	189.076841	146.3
[M+CH3COO]-	203.092491	171.6
[M+Na-2H]-	165.053306	134.7
[M]+	144.07809142	128.9
[M]-	144.07918858	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.