CID 82190

7-ethylbicyclooxazolidine

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

5
Annotation Hits: 6
References: 2281
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]+	144.10192	127.9
[M+Na]+	166.08386	135.3
[M-H]-	142.08736	131.7
[M+NH4]+	161.12846	151.7
[M+K]+	182.05780	137.1
[M+H-H2O]+	126.09190	123.6
[M+HCOO]-	188.09284	147.3
[M+CH3COO]-	202.10849	142.1
[M+Na-2H]-	164.06931	134.9
[M]+	143.09409	127.9
[M]-	143.09519	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe