CID 21473406

3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine

Structural Information

Molecular Formula
C13H20FN3
SMILES
C1CN(CCN1CCCN)C2=CC=CC=C2F
InChI
InChI=1S/C13H20FN3/c14-12-4-1-2-5-13(12)17-10-8-16(9-11-17)7-3-6-15/h1-2,4-5H,3,6-11,15H2
InChIKey
AYBUIEUDODPVQZ-UHFFFAOYSA-N
Compound name
3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

237.16412 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.171396 156.3
[M+Na]+ 260.153338 161.4
[M-H]- 236.156844 157.4
[M+NH4]+ 255.197943 170.5
[M+K]+ 276.127278 157.0
[M+H-H2O]+ 220.161380 146.1
[M+HCOO]- 282.162321 173.3
[M+CH3COO]- 296.177971 194.5
[M+Na-2H]- 258.138786 159.2
[M]+ 237.16357142 149.7
[M]- 237.16466858 149.7
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

patents stripe