CID 137965572

2230798-93-1

Structural Information

Molecular Formula
C13H21F2NO4
SMILES
CC(C)(C)OC(=O)NC1(CCC(CC1)C(F)F)C(=O)O
InChI
InChI=1S/C13H21F2NO4/c1-12(2,3)20-11(19)16-13(10(17)18)6-4-8(5-7-13)9(14)15/h8-9H,4-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
OQCVZDFTQJYTMY-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 165.1
[M+Na]+ 316.13308 168.7
[M-H]- 292.13658 163.6
[M+NH4]+ 311.17768 181.2
[M+K]+ 332.10702 168.1
[M+H-H2O]+ 276.14112 158.9
[M+HCOO]- 338.14206 178.1
[M+CH3COO]- 352.15771 200.6
[M+Na-2H]- 314.11853 165.1
[M]+ 293.14331 159.7
[M]- 293.14441 159.7
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.