CID 145913625

2377031-68-8

Structural Information

Molecular Formula
C13H20FNO4
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)(C(=O)O)F)C2CC2
InChI
InChI=1S/C13H20FNO4/c1-12(2,3)19-11(18)15-6-9(8-4-5-8)13(14,7-15)10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKey
QJZIMXDJPYUFHL-UHFFFAOYSA-N
Compound name
4-cyclopropyl-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.13763 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14491 160.2
[M+Na]+ 296.12685 168.2
[M-H]- 272.13035 163.7
[M+NH4]+ 291.17145 173.6
[M+K]+ 312.10079 165.8
[M+H-H2O]+ 256.13489 155.1
[M+HCOO]- 318.13583 175.0
[M+CH3COO]- 332.15148 196.5
[M+Na-2H]- 294.11230 160.6
[M]+ 273.13708 162.0
[M]- 273.13818 162.0
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.