CID 2771829

2-(3,4,5-trimethoxyphenyl)piperazine

Structural Information

Molecular Formula
C13H20N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)C2CNCCN2
InChI
InChI=1S/C13H20N2O3/c1-16-11-6-9(10-8-14-4-5-15-10)7-12(17-2)13(11)18-3/h6-7,10,14-15H,4-5,8H2,1-3H3
InChIKey
SZZIGSBHEDAVBX-UHFFFAOYSA-N
Compound name
2-(3,4,5-trimethoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

252.1474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 159.5
[M+Na]+ 275.13662 165.1
[M-H]- 251.14012 160.2
[M+NH4]+ 270.18122 172.5
[M+K]+ 291.11056 161.7
[M+H-H2O]+ 235.14466 151.0
[M+HCOO]- 297.14560 174.8
[M+CH3COO]- 311.16125 190.1
[M+Na-2H]- 273.12207 162.0
[M]+ 252.14685 156.7
[M]- 252.14795 156.7
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