CID 75531151

1312131-49-9

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-4-5-15-9-7-12-6-8(9)13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey
YLMNCYATSGIUDS-DTWKUNHWSA-N
Compound name
tert-butyl (4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

228.1474 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.154676 154.7
[M+Na]+ 251.136618 159.6
[M-H]- 227.140124 154.7
[M+NH4]+ 246.181223 170.9
[M+K]+ 267.110558 159.2
[M+H-H2O]+ 211.144660 148.5
[M+HCOO]- 273.145601 166.6
[M+CH3COO]- 287.161251 184.7
[M+Na-2H]- 249.122066 157.7
[M]+ 228.14685142 151.6
[M]- 228.14794858 151.6
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