CID 21016271

1822546-08-6

Structural Information

Molecular Formula
C13H21F2NO4
SMILES
CC(C)(C)OC(=O)NC(C1CCC(CC1)(F)F)C(=O)O
InChI
InChI=1S/C13H21F2NO4/c1-12(2,3)20-11(19)16-9(10(17)18)8-4-6-13(14,15)7-5-8/h8-9H,4-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
JALIUBZVGPQDJB-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

293.14386 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15114 167.3
[M+Na]+ 316.13308 171.2
[M+NH4]+ 311.17768 171.9
[M+K]+ 332.10702 167.8
[M-H]- 292.13658 162.6
[M+Na-2H]- 314.11853 168.1
[M]+ 293.14331 165.9
[M]- 293.14441 165.9
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