CID 43818937

887586-28-9

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₃

SMILES

CC(C)(C)OC(=O)N1CCCC1C2=NOC(=C2)N

InChI

InChI=1S/C12H19N3O3/c1-12(2,3)17-11(16)15-6-4-5-9(15)8-7-10(13)18-14-8/h7,9H,4-6,13H2,1-3H3

InChIKey

MMKADZYBONTSHQ-UHFFFAOYSA-N

Compound name

tert-butyl 2-(5-amino-1,2-oxazol-3-yl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 253.14264 Da
Monoisotopic Mass: 1.3
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]+	254.149916	159.0
[M+Na]+	276.131858	165.4
[M-H]-	252.135364	163.7
[M+NH4]+	271.176463	175.2
[M+K]+	292.105798	165.5
[M+H-H2O]+	236.139900	152.1
[M+HCOO]-	298.140841	177.8
[M+CH3COO]-	312.156491	193.5
[M+Na-2H]-	274.117306	159.9
[M]+	253.14209142	159.0
[M]-	253.14318858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe