CID 145867701

2361703-15-1

Structural Information

Molecular Formula
C8H12FNO2
SMILES
C1C[C@@]2(CNC[C@@]2(C1)F)C(=O)O
InChI
InChI=1S/C8H12FNO2/c9-8-3-1-2-7(8,6(11)12)4-10-5-8/h10H,1-5H2,(H,11,12)/t7-,8-/m1/s1
InChIKey
NWKRQBAZHJGWIC-HTQZYQBOSA-N
Compound name
(3aS,6aR)-3a-fluoro-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-6a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0852 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09248 137.8
[M+Na]+ 196.07442 144.9
[M-H]- 172.07792 136.8
[M+NH4]+ 191.11902 163.3
[M+K]+ 212.04836 142.2
[M+H-H2O]+ 156.08246 133.0
[M+HCOO]- 218.08340 153.9
[M+CH3COO]- 232.09905 170.8
[M+Na-2H]- 194.05987 141.3
[M]+ 173.08465 131.2
[M]- 173.08575 131.2
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.