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

3
Patents

228.11101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11829 152.2
[M+Na]+ 251.10023 159.3
[M-H]- 227.10373 153.3
[M+NH4]+ 246.14483 170.4
[M+K]+ 267.07417 159.3
[M+H-H2O]+ 211.10827 147.3
[M+HCOO]- 273.10921 167.0
[M+CH3COO]- 287.12486 184.2
[M+Na-2H]- 249.08568 154.0
[M]+ 228.11046 152.0
[M]- 228.11156 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