CID 66523168

Tert-butyl-3-oxo-octahydropyrrolo[3,4-b]morpholine-6-carboxylate, trans

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OCC(=O)N2
InChI
InChI=1S/C11H18N2O4/c1-11(2,3)17-10(15)13-4-7-8(5-13)16-6-9(14)12-7/h7-8H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m0/s1
InChIKey
YDGKPNUYHUQQDS-YUMQZZPRSA-N
Compound name
tert-butyl (4aS,7aS)-3-oxo-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-b][1,4]oxazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13394 154.7
[M+Na]+ 265.11588 162.1
[M+NH4]+ 260.16048 160.0
[M+K]+ 281.08982 161.8
[M-H]- 241.11938 153.3
[M+Na-2H]- 263.10133 154.0
[M]+ 242.12611 154.8
[M]- 242.12721 154.8
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.