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 152.8
[M+Na]+ 288.10180 161.1
[M-H]- 264.10530 151.6
[M+NH4]+ 283.14640 173.5
[M+K]+ 304.07574 160.5
[M+H-H2O]+ 248.10984 148.5
[M+HCOO]- 310.11078 167.5
[M+CH3COO]- 324.12643 191.7
[M+Na-2H]- 286.08725 155.0
[M]+ 265.11203 151.6
[M]- 265.11313 151.6
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

patents stripe