CID 155978379

Tert-butyl n-{2-[5-(hydroxymethyl)-1,2-oxazol-3-yl]propan-2-yl}carbamate

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(C)(C)OC(=O)NC(C)(C)C1=NOC(=C1)CO
InChI
InChI=1S/C12H20N2O4/c1-11(2,3)17-10(16)13-12(4,5)9-6-8(7-15)18-14-9/h6,15H,7H2,1-5H3,(H,13,16)
InChIKey
CGKXDVJVPCKOHF-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[5-(hydroxymethyl)-1,2-oxazol-3-yl]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 159.8
[M+Na]+ 279.13152 166.1
[M-H]- 255.13502 161.7
[M+NH4]+ 274.17612 175.3
[M+K]+ 295.10546 166.6
[M+H-H2O]+ 239.13956 154.1
[M+HCOO]- 301.14050 178.3
[M+CH3COO]- 315.15615 193.6
[M+Na-2H]- 277.11697 165.2
[M]+ 256.14175 163.4
[M]- 256.14285 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.