CID 138991142

2309448-09-5

Structural Information

Molecular Formula
C6H8FNO2
SMILES
C1CNCC(=C1C(=O)O)F
InChI
InChI=1S/C6H8FNO2/c7-5-3-8-2-1-4(5)6(9)10/h8H,1-3H2,(H,9,10)
InChIKey
KYFCAPPUVOAQMQ-UHFFFAOYSA-N
Compound name
5-fluoro-1,2,3,6-tetrahydropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.05391 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06119 127.2
[M+Na]+ 168.04313 134.0
[M-H]- 144.04663 125.3
[M+NH4]+ 163.08773 145.7
[M+K]+ 184.01707 131.8
[M+H-H2O]+ 128.05117 120.8
[M+HCOO]- 190.05211 144.1
[M+CH3COO]- 204.06776 168.2
[M+Na-2H]- 166.02858 131.5
[M]+ 145.05336 120.7
[M]- 145.05446 120.7
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.