CID 165739388

2409559-08-4

Structural Information

Molecular Formula
C10H15F3N2O2
SMILES
CCOC(=O)C12CNCC1(CNC2)C(F)(F)F
InChI
InChI=1S/C10H15F3N2O2/c1-2-17-7(16)8-3-14-5-9(8,6-15-4-8)10(11,12)13/h14-15H,2-6H2,1H3
InChIKey
OKDZKTHKXHTPFM-UHFFFAOYSA-N
Compound name
ethyl 3a-(trifluoromethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole-6a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10857 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11585 154.9
[M+Na]+ 275.09779 161.7
[M-H]- 251.10129 149.8
[M+NH4]+ 270.14239 176.0
[M+K]+ 291.07173 158.5
[M+H-H2O]+ 235.10583 147.9
[M+HCOO]- 297.10677 165.5
[M+CH3COO]- 311.12242 184.0
[M+Na-2H]- 273.08324 157.4
[M]+ 252.10802 146.8
[M]- 252.10912 146.8
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

No patent data available for this compound.