CID 66774075

1447943-90-9

Structural Information

Molecular Formula
C11H17F2NO4
SMILES
CC1(CC(CN1C(=O)OC(C)(C)C)(F)F)C(=O)O
InChI
InChI=1S/C11H17F2NO4/c1-9(2,3)18-8(17)14-6-11(12,13)5-10(14,4)7(15)16/h5-6H2,1-4H3,(H,15,16)
InChIKey
JWWNJDSEXLKVLH-UHFFFAOYSA-N
Compound name
4,4-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

265.11258 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11986 159.6
[M+Na]+ 288.10180 164.5
[M+NH4]+ 283.14640 165.4
[M+K]+ 304.07574 161.2
[M-H]- 264.10530 153.5
[M+Na-2H]- 286.08725 161.4
[M]+ 265.11203 158.2
[M]- 265.11313 158.2
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