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]+ 256.154336 164.4
[M+Na]+ 278.136278 173.1
[M-H]- 254.139784 168.1
[M+NH4]+ 273.180883 180.2
[M+K]+ 294.110218 171.3
[M+H-H2O]+ 238.144320 160.1
[M+HCOO]- 300.145261 181.1
[M+CH3COO]- 314.160911 195.9
[M+Na-2H]- 276.121726 167.2
[M]+ 255.14651142 171.0
[M]- 255.14760858 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