CID 137965740

2230803-43-5

Structural Information

Molecular Formula
C11H15F2NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1C(=O)O)CC2(F)F
InChI
InChI=1S/C11H15F2NO4/c1-9(2,3)18-8(17)14-5-10(4-11(10,12)13)6(14)7(15)16/h6H,4-5H2,1-3H3,(H,15,16)
InChIKey
XVQDSBDLNVUPSN-UHFFFAOYSA-N
Compound name
2,2-difluoro-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.3]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09692 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10420 160.2
[M+Na]+ 286.08614 168.7
[M-H]- 262.08964 162.2
[M+NH4]+ 281.13074 168.6
[M+K]+ 302.06008 170.0
[M+H-H2O]+ 246.09418 151.2
[M+HCOO]- 308.09512 172.9
[M+CH3COO]- 322.11077 198.2
[M+Na-2H]- 284.07159 163.0
[M]+ 263.09637 170.8
[M]- 263.09747 170.8
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.