CID 43122

59921-77-6

Structural Information

Molecular Formula
C15H20FNO
SMILES
C1CCC(C1)NCCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H20FNO/c16-13-9-7-12(8-10-13)15(18)6-3-11-17-14-4-1-2-5-14/h7-10,14,17H,1-6,11H2
InChIKey
YNTNYHCCKMGOTH-UHFFFAOYSA-N
Compound name
4-(cyclopentylamino)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1529 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.160176 158.5
[M+Na]+ 272.142118 162.6
[M-H]- 248.145624 162.8
[M+NH4]+ 267.186723 176.7
[M+K]+ 288.116058 158.8
[M+H-H2O]+ 232.150160 150.3
[M+HCOO]- 294.151101 179.8
[M+CH3COO]- 308.166751 196.3
[M+Na-2H]- 270.127566 159.4
[M]+ 249.15235142 154.5
[M]- 249.15344858 154.5
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.