CID 2735331

2-(4-benzylpiperazin-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C13H21N3
SMILES
C1CN(CCN1CCN)CC2=CC=CC=C2
InChI
InChI=1S/C13H21N3/c14-6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,6-12,14H2
InChIKey
CXEJMFLWEVKOGS-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

355
Patents

219.17355 Da
Monoisotopic Mass

0.6
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