CID 145867511

2375274-63-6

Structural Information

Molecular Formula

C₁₃H₂₁N₃O₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NOC=C2N

InChI

InChI=1S/C13H21N3O3/c1-13(2,3)19-12(17)16-6-4-9(5-7-16)11-10(14)8-18-15-11/h8-9H,4-7,14H2,1-3H3

InChIKey

DOUWFYFJIDPQBV-UHFFFAOYSA-N

Compound name

tert-butyl 4-(4-amino-1,2-oxazol-3-yl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.1583 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]+	268.165576	163.8
[M+Na]+	290.147518	169.1
[M-H]-	266.151024	167.7
[M+NH4]+	285.192123	177.6
[M+K]+	306.121458	168.6
[M+H-H2O]+	250.155560	156.0
[M+HCOO]-	312.156501	180.1
[M+CH3COO]-	326.172151	196.7
[M+Na-2H]-	288.132966	165.5
[M]+	267.15775142	162.0
[M]-	267.15884858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.