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

6
Patents

249.14772 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.154996 158.8
[M+Na]+ 272.136938 163.8
[M-H]- 248.140444 161.6
[M+NH4]+ 267.181543 172.5
[M+K]+ 288.110878 161.0
[M+H-H2O]+ 232.144980 149.6
[M+HCOO]- 294.145921 176.6
[M+CH3COO]- 308.161571 195.5
[M+Na-2H]- 270.122386 161.3
[M]+ 249.14717142 154.8
[M]- 249.14826858 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