CID 155820203

2567495-70-7

Structural Information

Molecular Formula
C15H23F2NO4
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CCC(CC2)(F)F)C(=O)O
InChI
InChI=1S/C15H23F2NO4/c1-12(2,3)22-11(21)18-14(10(19)20)8-13(9-14)4-6-15(16,17)7-5-13/h4-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
VGRXVLZIKWTFEG-UHFFFAOYSA-N
Compound name
7,7-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.5]nonane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15952 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16680 177.2
[M+Na]+ 342.14874 180.5
[M-H]- 318.15224 178.1
[M+NH4]+ 337.19334 189.9
[M+K]+ 358.12268 182.2
[M+H-H2O]+ 302.15678 167.9
[M+HCOO]- 364.15772 188.3
[M+CH3COO]- 378.17337 206.4
[M+Na-2H]- 340.13419 179.5
[M]+ 319.15897 180.5
[M]- 319.16007 180.5
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.