CID 50986399

2-[(tert-butoxy)carbonyl]-6,6-difluoro-2-azabicyclo[3.1.0]hexane-4-carboxylic acid

Structural Information

Molecular Formula
C11H15F2NO4
SMILES
CC(C)(C)OC(=O)N1CC(C2C1C2(F)F)C(=O)O
InChI
InChI=1S/C11H15F2NO4/c1-10(2,3)18-9(17)14-4-5(8(15)16)6-7(14)11(6,12)13/h5-7H,4H2,1-3H3,(H,15,16)
InChIKey
GGOJQCIRCNAMQU-UHFFFAOYSA-N
Compound name
6,6-difluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09692 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10420 155.1
[M+Na]+ 286.08614 165.7
[M-H]- 262.08964 155.7
[M+NH4]+ 281.13074 170.2
[M+K]+ 302.06008 162.5
[M+H-H2O]+ 246.09418 150.2
[M+HCOO]- 308.09512 168.8
[M+CH3COO]- 322.11077 196.0
[M+Na-2H]- 284.07159 156.7
[M]+ 263.09637 157.9
[M]- 263.09747 157.9
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

No patent data available for this compound.