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]+ 215.10263 146.7
[M+Na]+ 237.08457 154.0
[M-H]- 213.08807 148.7
[M+NH4]+ 232.12917 163.8
[M+K]+ 253.05851 154.5
[M+H-H2O]+ 197.09261 140.7
[M+HCOO]- 259.09355 167.8
[M+CH3COO]- 273.10920 184.0
[M+Na-2H]- 235.07002 152.4
[M]+ 214.09480 149.7
[M]- 214.09590 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.