CID 10800722

1822567-84-9

Structural Information

Molecular Formula
C10H15F2NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1C(=O)O)(F)F
InChI
InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-4-10(11,12)6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)
InChIKey
KYKGTPMAQQHAOU-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.09691 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10419 150.9
[M+Na]+ 274.08613 158.6
[M-H]- 250.08963 149.5
[M+NH4]+ 269.13073 170.1
[M+K]+ 290.06007 158.0
[M+H-H2O]+ 234.09417 145.4
[M+HCOO]- 296.09511 165.8
[M+CH3COO]- 310.11076 189.0
[M+Na-2H]- 272.07158 151.9
[M]+ 251.09636 148.9
[M]- 251.09746 148.9
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