CID 146109781

2344681-54-3

Structural Information

Molecular Formula
C11H15F2NO4
SMILES
CC(C)(C)OC(=O)N1CC2C(C1)(C2(F)F)C(=O)O
InChI
InChI=1S/C11H15F2NO4/c1-9(2,3)18-8(17)14-4-6-10(5-14,7(15)16)11(6,12)13/h6H,4-5H2,1-3H3,(H,15,16)
InChIKey
PKKHHRLXFHKZDD-UHFFFAOYSA-N
Compound name
6,6-difluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.09692 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10420 155.6
[M+Na]+ 286.08614 166.1
[M-H]- 262.08964 156.2
[M+NH4]+ 281.13074 172.3
[M+K]+ 302.06008 163.9
[M+H-H2O]+ 246.09418 151.8
[M+HCOO]- 308.09512 169.0
[M+CH3COO]- 322.11077 194.6
[M+Na-2H]- 284.07159 159.1
[M]+ 263.09637 158.6
[M]- 263.09747 158.6
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