CID 131139487

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

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CC(C)(C)OC(=O)NCC1=NOC(=C1)CO
InChI
InChI=1S/C10H16N2O4/c1-10(2,3)15-9(14)11-5-7-4-8(6-13)16-12-7/h4,13H,5-6H2,1-3H3,(H,11,14)
InChIKey
QDQQEKMSMWRPGN-UHFFFAOYSA-N
Compound name
tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.11101 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11829 151.4
[M+Na]+ 251.10023 158.2
[M-H]- 227.10373 153.2
[M+NH4]+ 246.14483 167.9
[M+K]+ 267.07417 158.5
[M+H-H2O]+ 211.10827 145.2
[M+HCOO]- 273.10921 172.1
[M+CH3COO]- 287.12486 187.1
[M+Na-2H]- 249.08568 156.6
[M]+ 228.11046 154.8
[M]- 228.11156 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

No patent data available for this compound.