CID 117274273

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

Structural Information

Molecular Formula
C9H14N2O4
SMILES
CC(C)(C)OC(=O)NC1=NOC(=C1)CO
InChI
InChI=1S/C9H14N2O4/c1-9(2,3)14-8(13)10-7-4-6(5-12)15-11-7/h4,12H,5H2,1-3H3,(H,10,11,13)
InChIKey
OQRSILWLRJTKHJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.102626 146.7
[M+Na]+ 237.084568 154.0
[M-H]- 213.088074 148.7
[M+NH4]+ 232.129173 163.8
[M+K]+ 253.058508 154.5
[M+H-H2O]+ 197.092610 140.7
[M+HCOO]- 259.093551 167.8
[M+CH3COO]- 273.109201 184.0
[M+Na-2H]- 235.070016 152.4
[M]+ 214.09480142 149.7
[M]- 214.09589858 149.7
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.