CID 70854858

1265919-24-1

Structural Information

Molecular Formula
C12H21NO5
SMILES
CCOC(=O)CO[C@H]1C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)N
InChI
InChI=1S/C12H21NO5/c1-4-15-9(14)6-16-8-5-7(13)10-11(8)18-12(2,3)17-10/h7-8,10-11H,4-6,13H2,1-3H3/t7-,8+,10+,11-/m1/s1
InChIKey
UBOHBTKTTNSMEV-YKDSUIRESA-N
Compound name
ethyl 2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

259.14197 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 157.9
[M+Na]+ 282.13119 164.0
[M+NH4]+ 277.17579 165.3
[M+K]+ 298.10513 163.6
[M-H]- 258.13469 159.6
[M+Na-2H]- 280.11664 157.5
[M]+ 259.14142 158.9
[M]- 259.14252 158.9
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