CID 9796234

Ethyl (3r,4s,5r)-5-azido-3-(1-ethylpropoxy)-4-hydroxy-1-cyclohexene-1-carboxylate

Structural Information

Molecular Formula
C14H23N3O4
SMILES
CCC(CC)O[C@@H]1C=C(C[C@H]([C@@H]1O)N=[N+]=[N-])C(=O)OCC
InChI
InChI=1S/C14H23N3O4/c1-4-10(5-2)21-12-8-9(14(19)20-6-3)7-11(13(12)18)16-17-15/h8,10-13,18H,4-7H2,1-3H3/t11-,12-,13+/m1/s1
InChIKey
ZVXCZNLVOFIJMG-UPJWGTAASA-N
Compound name
ethyl (3R,4S,5R)-5-azido-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

297.16885 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.176126 169.7
[M+Na]+ 320.158068 173.4
[M-H]- 296.161574 173.8
[M+NH4]+ 315.202673 184.5
[M+K]+ 336.132008 168.0
[M+H-H2O]+ 280.166110 166.9
[M+HCOO]- 342.167051 194.0
[M+CH3COO]- 356.182701 206.0
[M+Na-2H]- 318.143516 172.4
[M]+ 297.16830142 169.3
[M]- 297.16939858 169.3
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