CID 126970441

Cis-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-difluoro-cyclopentanecarboxylicacid

Structural Information

Molecular Formula
C11H17F2NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC(C[C@H]1C(=O)O)(F)F
InChI
InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-7-5-11(12,13)4-6(7)8(15)16/h6-7H,4-5H2,1-3H3,(H,14,17)(H,15,16)/t6-,7-/m1/s1
InChIKey
LYWABOYEWJKFHC-RNFRBKRXSA-N
Compound name
(1R,2R)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.11258 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11986 159.9
[M+Na]+ 288.10180 163.8
[M+NH4]+ 283.14640 164.7
[M+K]+ 304.07574 162.1
[M-H]- 264.10530 154.8
[M+Na-2H]- 286.08725 160.3
[M]+ 265.11203 158.4
[M]- 265.11313 158.4
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.