CID 57345873

Tert-butyl n-(1,3-oxazol-5-yl)carbamate

Structural Information

Molecular Formula

C₈H₁₂N₂O₃

SMILES

CC(C)(C)OC(=O)NC1=CN=CO1

InChI

InChI=1S/C8H12N2O3/c1-8(2,3)13-7(11)10-6-4-9-5-12-6/h4-5H,1-3H3,(H,10,11)

InChIKey

PXLUWGIWHBNPEN-UHFFFAOYSA-N

Compound name

tert-butyl N-(1,3-oxazol-5-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.0848 Da
Monoisotopic Mass: 1.2
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]+	185.092076	139.1
[M+Na]+	207.074018	146.5
[M-H]-	183.077524	142.3
[M+NH4]+	202.118623	157.9
[M+K]+	223.047958	147.6
[M+H-H2O]+	167.082060	133.0
[M+HCOO]-	229.083001	161.8
[M+CH3COO]-	243.098651	180.2
[M+Na-2H]-	205.059466	146.3
[M]+	184.08425142	141.8
[M]-	184.08534858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe