CID 137964296

2225144-91-0

Structural Information

Molecular Formula
C12H17F2NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(C1C(=O)O)CC2(F)F
InChI
InChI=1S/C12H17F2NO4/c1-10(2,3)19-9(18)15-5-4-11(6-12(11,13)14)7(15)8(16)17/h7H,4-6H2,1-3H3,(H,16,17)
InChIKey
BOPBHLMJRYFQCU-UHFFFAOYSA-N
Compound name
2,2-difluoro-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.11258 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11986 158.2
[M+Na]+ 300.10180 167.9
[M-H]- 276.10530 159.9
[M+NH4]+ 295.14640 173.8
[M+K]+ 316.07574 165.9
[M+H-H2O]+ 260.10984 154.0
[M+HCOO]- 322.11078 171.7
[M+CH3COO]- 336.12643 196.3
[M+Na-2H]- 298.08725 160.4
[M]+ 277.11203 159.7
[M]- 277.11313 159.7
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.