CID 82190

Oxazolidine e

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCC12COCN1COC2

InChI

InChI=1S/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3

InChIKey

ZRCMGIXRGFOXNT-UHFFFAOYSA-N

Compound name

7a-ethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 6
References: 2126
Patents: 143.09464 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]+	144.101916	127.9
[M+Na]+	166.083858	135.3
[M-H]-	142.087364	131.7
[M+NH4]+	161.128463	151.7
[M+K]+	182.057798	137.1
[M+H-H2O]+	126.091900	123.6
[M+HCOO]-	188.092841	147.3
[M+CH3COO]-	202.108491	142.1
[M+Na-2H]-	164.069306	134.9
[M]+	143.09409142	127.9
[M]-	143.09518858	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe