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 139.8
[M+Na]+ 208.07442 145.3
[M-H]- 184.07792 137.9
[M+NH4]+ 203.11902 160.6
[M+K]+ 224.04836 142.9
[M+H-H2O]+ 168.08246 133.7
[M+HCOO]- 230.08340 153.8
[M+CH3COO]- 244.09905 178.7
[M+Na-2H]- 206.05987 141.4
[M]+ 185.08465 133.4
[M]- 185.08575 133.4
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.