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

26
Patents

259.14197 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.149246 157.8
[M+Na]+ 282.131188 164.5
[M-H]- 258.134694 162.8
[M+NH4]+ 277.175793 178.2
[M+K]+ 298.105128 165.8
[M+H-H2O]+ 242.139230 154.5
[M+HCOO]- 304.140171 176.8
[M+CH3COO]- 318.155821 196.7
[M+Na-2H]- 280.116636 159.9
[M]+ 259.14142142 161.5
[M]- 259.14251858 161.5
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