CID 62612

Oxazolidine t

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1C2(COCN2CO1)CO

InChI

InChI=1S/C6H11NO3/c8-1-6-2-9-4-7(6)5-10-3-6/h8H,1-5H2

InChIKey

BFHKYHMIVDBCPC-UHFFFAOYSA-N

Compound name

1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-ylmethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1088
Patents: 145.0739 Da
Monoisotopic Mass: -1.1
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]+	146.08118	126.6
[M+Na]+	168.06312	133.9
[M-H]-	144.06662	129.2
[M+NH4]+	163.10772	149.5
[M+K]+	184.03706	135.4
[M+H-H2O]+	128.07116	122.5
[M+HCOO]-	190.07210	145.0
[M+CH3COO]-	204.08775	167.1
[M+Na-2H]-	166.04857	133.9
[M]+	145.07335	125.9
[M]-	145.07445	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe