CID 145874831

Tert-butyl n-[(4-formyl-1,3-oxazol-5-yl)methyl]carbamate

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

CC(C)(C)OC(=O)NCC1=C(N=CO1)C=O

InChI

InChI=1S/C10H14N2O4/c1-10(2,3)16-9(14)11-4-8-7(5-13)12-6-15-8/h5-6H,4H2,1-3H3,(H,11,14)

InChIKey

DULUDHISPPQONP-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-formyl-1,3-oxazol-5-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.09535 Da
Monoisotopic Mass: 0.7
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]+	227.102626	149.5
[M+Na]+	249.084568	157.1
[M-H]-	225.088074	152.8
[M+NH4]+	244.129173	166.7
[M+K]+	265.058508	157.7
[M+H-H2O]+	209.092610	143.3
[M+HCOO]-	271.093551	172.0
[M+CH3COO]-	285.109201	188.7
[M+Na-2H]-	247.070016	155.2
[M]+	226.09480142	154.1
[M]-	226.09589858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.