CID 67284568

543713-48-0

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CC(C)(C)OC(=O)NCC1=CC(=NO1)CO
InChI
InChI=1S/C10H16N2O4/c1-10(2,3)15-9(14)11-5-8-4-7(6-13)12-16-8/h4,13H,5-6H2,1-3H3,(H,11,14)
InChIKey
ZBNITNWQSAGWIF-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

228.11101 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.118286 151.4
[M+Na]+ 251.100228 158.2
[M-H]- 227.103734 153.2
[M+NH4]+ 246.144833 167.9
[M+K]+ 267.074168 158.5
[M+H-H2O]+ 211.108270 145.2
[M+HCOO]- 273.109211 172.1
[M+CH3COO]- 287.124861 187.1
[M+Na-2H]- 249.085676 156.6
[M]+ 228.11046142 154.8
[M]- 228.11155858 154.8
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

patents stripe