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

4
Patents

237.16412 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.17140 156.3
[M+Na]+ 260.15334 161.4
[M-H]- 236.15684 157.4
[M+NH4]+ 255.19794 170.5
[M+K]+ 276.12728 157.0
[M+H-H2O]+ 220.16138 146.1
[M+HCOO]- 282.16232 173.3
[M+CH3COO]- 296.17797 194.5
[M+Na-2H]- 258.13879 159.2
[M]+ 237.16357 149.7
[M]- 237.16467 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