CID 1084996

4-[(4-ethylpiperazin-1-yl)methyl]aniline

Structural Information

Molecular Formula
C13H21N3
SMILES
CCN1CCN(CC1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C13H21N3/c1-2-15-7-9-16(10-8-15)11-12-3-5-13(14)6-4-12/h3-6H,2,7-11,14H2,1H3
InChIKey
VVTIATCVLPUOPW-UHFFFAOYSA-N
Compound name
4-[(4-ethylpiperazin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

235
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 153.5
[M+Na]+ 242.16277 158.6
[M-H]- 218.16627 156.1
[M+NH4]+ 237.20737 168.6
[M+K]+ 258.13671 154.7
[M+H-H2O]+ 202.17081 144.5
[M+HCOO]- 264.17175 171.7
[M+CH3COO]- 278.18740 191.8
[M+Na-2H]- 240.14822 157.1
[M]+ 219.17300 148.1
[M]- 219.17410 148.1
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