CID 65458876

1-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}cyclopropan-1-amine

Structural Information

Molecular Formula
C14H20FN3
SMILES
C1CC1(CN2CCN(CC2)C3=CC=C(C=C3)F)N
InChI
InChI=1S/C14H20FN3/c15-12-1-3-13(4-2-12)18-9-7-17(8-10-18)11-14(16)5-6-14/h1-4H,5-11,16H2
InChIKey
BVOKCFLLEFOMAC-UHFFFAOYSA-N
Compound name
1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.16412 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.17140 160.1
[M+Na]+ 272.15334 167.5
[M-H]- 248.15684 165.3
[M+NH4]+ 267.19794 171.0
[M+K]+ 288.12728 163.1
[M+H-H2O]+ 232.16138 150.4
[M+HCOO]- 294.16232 177.5
[M+CH3COO]- 308.17797 169.9
[M+Na-2H]- 270.13879 163.7
[M]+ 249.16357 155.6
[M]- 249.16467 155.6
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.