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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	174.092476	137.8
[M+Na]+	196.074418	144.9
[M-H]-	172.077924	136.8
[M+NH4]+	191.119023	163.3
[M+K]+	212.048358	142.2
[M+H-H2O]+	156.082460	133.0
[M+HCOO]-	218.083401	153.9
[M+CH3COO]-	232.099051	170.8
[M+Na-2H]-	194.059866	141.3
[M]+	173.08465142	131.2
[M]-	173.08574858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.