CID 145867571

2375268-56-5

Structural Information

Molecular Formula
C13H21NO5
SMILES
CCOC(=O)C1CN(CC2C1O2)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO5/c1-5-17-11(15)8-6-14(7-9-10(8)18-9)12(16)19-13(2,3)4/h8-10H,5-7H2,1-4H3
InChIKey
QIJBZKJJZQYDNJ-UHFFFAOYSA-N
Compound name
3-O-tert-butyl 5-O-ethyl 7-oxa-3-azabicyclo[4.1.0]heptane-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 166.9
[M+Na]+ 294.13119 174.9
[M-H]- 270.13469 171.1
[M+NH4]+ 289.17579 177.4
[M+K]+ 310.10513 174.2
[M+H-H2O]+ 254.13923 160.5
[M+HCOO]- 316.14017 181.3
[M+CH3COO]- 330.15582 200.2
[M+Na-2H]- 292.11664 170.1
[M]+ 271.14142 173.6
[M]- 271.14252 173.6
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

No patent data available for this compound.