CID 136574845

2193065-36-8

Structural Information

Molecular Formula
C12H19F2NO5
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C(C(=O)O)(F)F)OC
InChI
InChI=1S/C12H19F2NO5/c1-10(2,3)20-9(18)15-6-5-11(7-15,19-4)12(13,14)8(16)17/h5-7H2,1-4H3,(H,16,17)
InChIKey
JEHSCTNFJZUKMV-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12314 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13042 162.4
[M+Na]+ 318.11236 168.5
[M-H]- 294.11586 160.5
[M+NH4]+ 313.15696 179.5
[M+K]+ 334.08630 168.6
[M+H-H2O]+ 278.12040 157.0
[M+HCOO]- 340.12134 175.3
[M+CH3COO]- 354.13699 196.3
[M+Na-2H]- 316.09781 164.6
[M]+ 295.12259 161.6
[M]- 295.12369 161.6
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.