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]+ 174.09248 137.2
[M+Na]+ 196.07442 144.9
[M-H]- 172.07792 136.3
[M+NH4]+ 191.11902 160.8
[M+K]+ 212.04836 143.0
[M+H-H2O]+ 156.08246 131.9
[M+HCOO]- 218.08340 154.6
[M+CH3COO]- 232.09905 176.9
[M+Na-2H]- 194.05987 138.5
[M]+ 173.08465 134.4
[M]- 173.08575 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.