CID 66521743

1255666-86-4

Structural Information

Molecular Formula
C11H17F2NO4
SMILES
CC(C)(C)OC(=O)N1CC(CC(C1)(F)F)C(=O)O
InChI
InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-7(8(15)16)4-11(12,13)6-14/h7H,4-6H2,1-3H3,(H,15,16)
InChIKey
MSNKMLCRSUWLHZ-UHFFFAOYSA-N
Compound name
5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

265.11258 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11986 161.0
[M+Na]+ 288.10180 166.9
[M+NH4]+ 283.14640 165.7
[M+K]+ 304.07574 163.1
[M-H]- 264.10530 155.7
[M+Na-2H]- 286.08725 162.0
[M]+ 265.11203 159.8
[M]- 265.11313 159.8
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