CID 40641109

(1r,2r)-2-(4-fluorobenzyl)cyclopentanamine hydrochloride

Structural Information

Molecular Formula
C12H16FN
SMILES
C1C[C@@H]([C@@H](C1)N)CC2=CC=C(C=C2)F
InChI
InChI=1S/C12H16FN/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-7,10,12H,1-3,8,14H2/t10-,12-/m1/s1
InChIKey
QDTQPMOMFUJZMV-ZYHUDNBSSA-N
Compound name
(1R,2R)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.12668 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13396 142.1
[M+Na]+ 216.11590 148.5
[M-H]- 192.11940 146.8
[M+NH4]+ 211.16050 162.9
[M+K]+ 232.08984 144.8
[M+H-H2O]+ 176.12394 134.8
[M+HCOO]- 238.12488 164.4
[M+CH3COO]- 252.14053 185.7
[M+Na-2H]- 214.10135 144.1
[M]+ 193.12613 136.3
[M]- 193.12723 136.3
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.