CID 43384214

Methyl 2-[4-(4-aminophenyl)piperazin-1-yl]acetate

Structural Information

Molecular Formula
C13H19N3O2
SMILES
COC(=O)CN1CCN(CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H19N3O2/c1-18-13(17)10-15-6-8-16(9-7-15)12-4-2-11(14)3-5-12/h2-5H,6-10,14H2,1H3
InChIKey
HDDUMTMZXLLPGN-UHFFFAOYSA-N
Compound name
methyl 2-[4-(4-aminophenyl)piperazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

249.14772 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 158.8
[M+Na]+ 272.13694 163.8
[M-H]- 248.14044 161.6
[M+NH4]+ 267.18154 172.5
[M+K]+ 288.11088 161.0
[M+H-H2O]+ 232.14498 149.6
[M+HCOO]- 294.14592 176.6
[M+CH3COO]- 308.16157 195.5
[M+Na-2H]- 270.12239 161.3
[M]+ 249.14717 154.8
[M]- 249.14827 154.8
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

patents stripe