CID 16642422

2-(4-phenylpiperazin-1-yl)propan-1-amine

Structural Information

Molecular Formula
C13H21N3
SMILES
CC(CN)N1CCN(CC1)C2=CC=CC=C2
InChI
InChI=1S/C13H21N3/c1-12(11-14)15-7-9-16(10-8-15)13-5-3-2-4-6-13/h2-6,12H,7-11,14H2,1H3
InChIKey
RVMULKARZNWVBY-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 153.4
[M+Na]+ 242.16277 157.2
[M-H]- 218.16627 155.7
[M+NH4]+ 237.20737 168.1
[M+K]+ 258.13671 153.9
[M+H-H2O]+ 202.17081 144.3
[M+HCOO]- 264.17175 170.6
[M+CH3COO]- 278.18740 191.5
[M+Na-2H]- 240.14822 156.6
[M]+ 219.17300 146.9
[M]- 219.17410 146.9
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.