CID 105522357

2172525-78-7

Structural Information

Molecular Formula
C11H17F2NO5
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C(C(=O)O)(F)F)O
InChI
InChI=1S/C11H17F2NO5/c1-9(2,3)19-8(17)14-5-4-10(18,6-14)11(12,13)7(15)16/h18H,4-6H2,1-3H3,(H,15,16)
InChIKey
XVWXZSYLVHAWLT-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[3-hydroxy-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

281.10748 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11476 158.7
[M+Na]+ 304.09670 164.8
[M-H]- 280.10020 155.5
[M+NH4]+ 299.14130 175.6
[M+K]+ 320.07064 164.2
[M+H-H2O]+ 264.10474 153.7
[M+HCOO]- 326.10568 170.3
[M+CH3COO]- 340.12133 190.9
[M+Na-2H]- 302.08215 160.8
[M]+ 281.10693 155.6
[M]- 281.10803 155.6
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.