CID 11745212

1063734-58-6

Structural Information

Molecular Formula

C₁₁H₁₄FN

SMILES

C1C[C@@H]([C@@H](C1)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H14FN/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10-11H,1-3,13H2/t10-,11-/m1/s1

InChIKey

SBIOJANZHQTSRP-GHMZBOCLSA-N

Compound name

(1R,2R)-2-(4-fluorophenyl)cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 179.11102 Da
Monoisotopic Mass: 2.0
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]+	180.11830	137.4
[M+Na]+	202.10024	144.3
[M-H]-	178.10374	142.3
[M+NH4]+	197.14484	158.8
[M+K]+	218.07418	140.8
[M+H-H2O]+	162.10828	130.4
[M+HCOO]-	224.10922	160.1
[M+CH3COO]-	238.12487	182.7
[M+Na-2H]-	200.08569	140.0
[M]+	179.11047	131.3
[M]-	179.11157	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe