CID 83803078

Tert-butyl3-amino-4h,5h,6h-pyrrolo[3,4-c][1,2]oxazole-5-carboxylate

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CC(C)(C)OC(=O)N1CC2=C(ON=C2C1)N
InChI
InChI=1S/C10H15N3O3/c1-10(2,3)15-9(14)13-4-6-7(5-13)12-16-8(6)11/h4-5,11H2,1-3H3
InChIKey
HHZWKPVEQYOOSE-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-4,6-dihydropyrrolo[3,4-c][1,2]oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 151.0
[M+Na]+ 248.10056 159.4
[M-H]- 224.10406 153.8
[M+NH4]+ 243.14516 169.8
[M+K]+ 264.07450 159.6
[M+H-H2O]+ 208.10860 145.3
[M+HCOO]- 270.10954 170.3
[M+CH3COO]- 284.12519 189.0
[M+Na-2H]- 246.08601 154.4
[M]+ 225.11079 153.1
[M]- 225.11189 153.1
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.