CID 66716145

Tert-butyl n-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]carbamate

Structural Information

Molecular Formula
C8H13N3O4
SMILES
CC(C)(C)OC(=O)NC1=NN=C(O1)CO
InChI
InChI=1S/C8H13N3O4/c1-8(2,3)15-7(13)9-6-11-10-5(4-12)14-6/h12H,4H2,1-3H3,(H,9,11,13)
InChIKey
XEMQYXMKQFKBDB-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

215.0906 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.097876 146.5
[M+Na]+ 238.079818 154.2
[M-H]- 214.083324 147.4
[M+NH4]+ 233.124423 162.2
[M+K]+ 254.053758 154.9
[M+H-H2O]+ 198.087860 139.8
[M+HCOO]- 260.088801 166.6
[M+CH3COO]- 274.104451 183.9
[M+Na-2H]- 236.065266 152.6
[M]+ 215.09005142 149.7
[M]- 215.09114858 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

patents stripe