CID 2724536

(r)-glycidyl butyrate

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CCCC(=O)OC[C@H]1CO1

InChI

InChI=1S/C7H12O3/c1-2-3-7(8)10-5-6-4-9-6/h6H,2-5H2,1H3/t6-/m1/s1

InChIKey

YLNSNVGRSIOCEU-ZCFIWIBFSA-N

Compound name

[(2R)-oxiran-2-yl]methyl butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1510
Patents: 144.07864 Da
Monoisotopic Mass: 0.6
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]+	145.08592	131.1
[M+Na]+	167.06786	140.1
[M-H]-	143.07136	136.5
[M+NH4]+	162.11246	146.6
[M+K]+	183.04180	140.4
[M+H-H2O]+	127.07590	125.0
[M+HCOO]-	189.07684	153.8
[M+CH3COO]-	203.09249	177.4
[M+Na-2H]-	165.05331	138.0
[M]+	144.07809	137.4
[M]-	144.07919	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe