CID 105528353

2172503-49-8

Structural Information

Molecular Formula
C12H19F2NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(C(=O)O)(F)F)O
InChI
InChI=1S/C12H19F2NO5/c1-10(2,3)20-9(18)15-6-4-11(19,5-7-15)12(13,14)8(16)17/h19H,4-7H2,1-3H3,(H,16,17)
InChIKey
MEOVWTQHERVQNB-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12314 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13042 163.3
[M+Na]+ 318.11236 168.2
[M-H]- 294.11586 159.6
[M+NH4]+ 313.15696 177.7
[M+K]+ 334.08630 167.6
[M+H-H2O]+ 278.12040 157.5
[M+HCOO]- 340.12134 172.5
[M+CH3COO]- 354.13699 194.4
[M+Na-2H]- 316.09781 165.8
[M]+ 295.12259 158.6
[M]- 295.12369 158.6
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.