CID 86699316

1204820-72-3

Structural Information

Molecular Formula
C13H21NO4
SMILES
CCOC(=O)[C@]12C[C@H]1CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO4/c1-5-17-10(15)13-6-9(13)7-14(8-13)11(16)18-12(2,3)4/h9H,5-8H2,1-4H3/t9-,13-/m0/s1
InChIKey
AAUQYAVYRMDOAX-ZANVPECISA-N
Compound name
3-O-tert-butyl 1-O-ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

255.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 164.4
[M+Na]+ 278.13628 173.1
[M-H]- 254.13978 168.1
[M+NH4]+ 273.18088 180.2
[M+K]+ 294.11022 171.3
[M+H-H2O]+ 238.14432 160.1
[M+HCOO]- 300.14526 181.1
[M+CH3COO]- 314.16091 195.9
[M+Na-2H]- 276.12173 167.2
[M]+ 255.14651 171.0
[M]- 255.14761 171.0
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