CID 769677

1-(4-ethylbenzyl)piperazine

Structural Information

Molecular Formula
C13H20N2
SMILES
CCC1=CC=C(C=C1)CN2CCNCC2
InChI
InChI=1S/C13H20N2/c1-2-12-3-5-13(6-4-12)11-15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3
InChIKey
FUHWWXRPMBXPNY-UHFFFAOYSA-N
Compound name
1-[(4-ethylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

33
Patents

204.16264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 150.2
[M+Na]+ 227.15186 163.1
[M+NH4]+ 222.19646 158.9
[M+K]+ 243.12580 155.0
[M-H]- 203.15536 153.7
[M+Na-2H]- 225.13731 157.8
[M]+ 204.16209 153.0
[M]- 204.16319 153.0
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