CID 67312106

Rac-tert-butyl (3ar,6as)-2-oxo-hexahydro-2h-pyrrolo[3,4-d][1,3]oxazole-5-carboxylate

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2
InChI
InChI=1S/C10H16N2O4/c1-10(2,3)16-9(14)12-4-6-7(5-12)15-8(13)11-6/h6-7H,4-5H2,1-3H3,(H,11,13)/t6-,7+/m0/s1
InChIKey
XZAVZXYVYKZUTE-NKWVEPMBSA-N
Compound name
tert-butyl (3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.11101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.118286 152.2
[M+Na]+ 251.100228 159.3
[M-H]- 227.103734 153.3
[M+NH4]+ 246.144833 170.4
[M+K]+ 267.074168 159.3
[M+H-H2O]+ 211.108270 147.3
[M+HCOO]- 273.109211 167.0
[M+CH3COO]- 287.124861 184.2
[M+Na-2H]- 249.085676 154.0
[M]+ 228.11046142 152.0
[M]- 228.11155858 152.0
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