CID 11252852

113775-22-7

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C(=O)O2
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-5-6-4-7(11)8(12)14-6/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKey
LRUFZHMJIBJMPC-BQBZGAKWSA-N
Compound name
tert-butyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

213.10011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.107386 147.4
[M+Na]+ 236.089328 155.3
[M-H]- 212.092834 149.9
[M+NH4]+ 231.133933 169.0
[M+K]+ 252.063268 156.1
[M+H-H2O]+ 196.097370 143.8
[M+HCOO]- 258.098311 164.8
[M+CH3COO]- 272.113961 185.1
[M+Na-2H]- 234.074776 151.0
[M]+ 213.09956142 150.5
[M]- 213.10065858 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe