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]+ 243.13394 155.9
[M+Na]+ 265.11588 161.8
[M-H]- 241.11938 156.3
[M+NH4]+ 260.16048 171.6
[M+K]+ 281.08982 161.4
[M+H-H2O]+ 225.12392 150.0
[M+HCOO]- 287.12486 168.2
[M+CH3COO]- 301.14051 187.4
[M+Na-2H]- 263.10133 158.5
[M]+ 242.12611 153.9
[M]- 242.12721 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.