CID 126970441

2743254-09-1

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 155.4
[M+Na]+ 288.10180 161.8
[M-H]- 264.10530 155.0
[M+NH4]+ 283.14640 174.9
[M+K]+ 304.07574 160.9
[M+H-H2O]+ 248.10984 150.2
[M+HCOO]- 310.11078 172.2
[M+CH3COO]- 324.12643 194.4
[M+Na-2H]- 286.08725 156.3
[M]+ 265.11203 152.3
[M]- 265.11313 152.3
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.