CID 167740719

Lithium(1+) 2-{1-azabicyclo[3.2.1]octan-4-ylidene}-2-fluoroacetate

Structural Information

Molecular Formula
C9H12FNO2
SMILES
C1CN2CC/C(=C(\C(=O)O)/F)/C1C2
InChI
InChI=1S/C9H12FNO2/c10-8(9(12)13)7-2-4-11-3-1-6(7)5-11/h6H,1-5H2,(H,12,13)/b8-7-
InChIKey
XRTZJGVZADVMNF-FPLPWBNLSA-N
Compound name
(2Z)-2-(1-azabicyclo[3.2.1]octan-4-ylidene)-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.0852 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09248 140.8
[M+Na]+ 208.07442 147.9
[M+NH4]+ 203.11902 147.8
[M+K]+ 224.04836 145.4
[M-H]- 184.07792 137.9
[M+Na-2H]- 206.05987 140.4
[M]+ 185.08465 140.3
[M]- 185.08575 140.3
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.