CID 105521267

1782406-03-4

Structural Information

Molecular Formula
C12H19F2NO4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(C(=O)O)(F)F
InChI
InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(18)15-6-4-5-8(7-15)12(13,14)9(16)17/h8H,4-7H2,1-3H3,(H,16,17)
InChIKey
PTELYUWFCFTJIV-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1282 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13548 160.9
[M+Na]+ 302.11742 165.5
[M-H]- 278.12092 158.4
[M+NH4]+ 297.16202 174.8
[M+K]+ 318.09136 164.7
[M+H-H2O]+ 262.12546 153.8
[M+HCOO]- 324.12640 171.5
[M+CH3COO]- 338.14205 195.1
[M+Na-2H]- 300.10287 162.2
[M]+ 279.12765 156.3
[M]- 279.12875 156.3
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.