CID 114931204

1-[(2,6-difluorophenyl)methyl]cyclopentan-1-amine

Structural Information

Molecular Formula
C12H15F2N
SMILES
C1CCC(C1)(CC2=C(C=CC=C2F)F)N
InChI
InChI=1S/C12H15F2N/c13-10-4-3-5-11(14)9(10)8-12(15)6-1-2-7-12/h3-5H,1-2,6-8,15H2
InChIKey
XAQYKQZQKDJKCD-UHFFFAOYSA-N
Compound name
1-[(2,6-difluorophenyl)methyl]cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11725 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12453 144.3
[M+Na]+ 234.10647 151.8
[M-H]- 210.10997 148.0
[M+NH4]+ 229.15107 166.3
[M+K]+ 250.08041 147.7
[M+H-H2O]+ 194.11451 136.7
[M+HCOO]- 256.11545 165.6
[M+CH3COO]- 270.13110 188.0
[M+Na-2H]- 232.09192 146.8
[M]+ 211.11670 137.7
[M]- 211.11780 137.7
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.