CID 177802000

Tert-butyl n-[(3-acetyl-1,2-oxazol-5-yl)methyl]carbamate

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₄

SMILES

CC(=O)C1=NOC(=C1)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C11H16N2O4/c1-7(14)9-5-8(17-13-9)6-12-10(15)16-11(2,3)4/h5H,6H2,1-4H3,(H,12,15)

InChIKey

OUMUAPUMJGDXQF-UHFFFAOYSA-N

Compound name

tert-butyl N-[(3-acetyl-1,2-oxazol-5-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.11101 Da
Monoisotopic Mass: 0.9
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]+	241.118286	154.2
[M+Na]+	263.100228	161.2
[M-H]-	239.103734	157.5
[M+NH4]+	258.144833	170.9
[M+K]+	279.074168	162.1
[M+H-H2O]+	223.108270	148.0
[M+HCOO]-	285.109211	175.4
[M+CH3COO]-	299.124861	192.6
[M+Na-2H]-	261.085676	158.3
[M]+	240.11046142	158.6
[M]-	240.11155858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.