CID 145867343

Rac-methyl (1r,4r,6s,7s)-6-fluoro-2-azabicyclo[2.2.1]heptane-7-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H12FNO2
SMILES
COC(=O)[C@@H]1[C@@H]2C[C@H]([C@H]1NC2)F
InChI
InChI=1S/C8H12FNO2/c1-12-8(11)6-4-2-5(9)7(6)10-3-4/h4-7,10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKey
JZCNUJHBFJXTIU-DBRKOABJSA-N
Compound name
methyl (1S,4S,6R,7R)-6-fluoro-2-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0852 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.092476 137.2
[M+Na]+ 196.074418 144.9
[M-H]- 172.077924 136.3
[M+NH4]+ 191.119023 160.8
[M+K]+ 212.048358 143.0
[M+H-H2O]+ 156.082460 131.9
[M+HCOO]- 218.083401 154.6
[M+CH3COO]- 232.099051 176.9
[M+Na-2H]- 194.059866 138.5
[M]+ 173.08465142 134.4
[M]- 173.08574858 134.4
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.