CID 22875335

138027-02-8

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-6-8-9(7-13)15-5-4-12-8/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey
AUXXIKSVHUSTOA-DTWKUNHWSA-N
Compound name
tert-butyl (4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

228.1474 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15468 154.7
[M+Na]+ 251.13662 159.6
[M-H]- 227.14012 154.7
[M+NH4]+ 246.18122 170.9
[M+K]+ 267.11056 159.2
[M+H-H2O]+ 211.14466 148.5
[M+HCOO]- 273.14560 166.6
[M+CH3COO]- 287.16125 184.7
[M+Na-2H]- 249.12207 157.7
[M]+ 228.14685 151.6
[M]- 228.14795 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