CID 261297

3-(4-phenylpiperazin-1-yl)propan-1-amine

Structural Information

Molecular Formula
C13H21N3
SMILES
C1CN(CCN1CCCN)C2=CC=CC=C2
InChI
InChI=1S/C13H21N3/c14-7-4-8-15-9-11-16(12-10-15)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,14H2
InChIKey
KNLCRNWJXCLJHQ-UHFFFAOYSA-N
Compound name
3-(4-phenylpiperazin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

99
Patents

219.17355 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.18083 153.0
[M+Na]+ 242.16277 157.0
[M-H]- 218.16627 155.1
[M+NH4]+ 237.20737 167.7
[M+K]+ 258.13671 153.1
[M+H-H2O]+ 202.17081 143.6
[M+HCOO]- 264.17175 171.1
[M+CH3COO]- 278.18740 190.7
[M+Na-2H]- 240.14822 157.3
[M]+ 219.17300 147.1
[M]- 219.17410 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe