CID 40641109

(1r,2r)-2-(4-fluorobenzyl)cyclopentan-1-amine

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
trans-(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]+ 194.133956 142.1
[M+Na]+ 216.115898 148.5
[M-H]- 192.119404 146.8
[M+NH4]+ 211.160503 162.9
[M+K]+ 232.089838 144.8
[M+H-H2O]+ 176.123940 134.8
[M+HCOO]- 238.124881 164.4
[M+CH3COO]- 252.140531 185.7
[M+Na-2H]- 214.101346 144.1
[M]+ 193.12613142 136.3
[M]- 193.12722858 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.