CID 71305976

1250994-08-1

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-/m1/s1
InChIKey
YDGKPNUYHUQQDS-HTQZYQBOSA-N
Compound name
tert-butyl (4aR,7aR)-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]+ 243.133936 155.9
[M+Na]+ 265.115878 161.8
[M-H]- 241.119384 156.3
[M+NH4]+ 260.160483 171.6
[M+K]+ 281.089818 161.4
[M+H-H2O]+ 225.123920 150.0
[M+HCOO]- 287.124861 168.2
[M+CH3COO]- 301.140511 187.4
[M+Na-2H]- 263.101326 158.5
[M]+ 242.12611142 153.9
[M]- 242.12720858 153.9
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.