CID 94426

1-piperonylpiperazine

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CN(CCN1)CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C12H16N2O2/c1-2-11-12(16-9-15-11)7-10(1)8-14-5-3-13-4-6-14/h1-2,7,13H,3-6,8-9H2
InChIKey
NBOOZXVYXHATOW-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

1204
Patents

220.12119 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.9
[M+Na]+ 243.11041 161.8
[M+NH4]+ 238.15501 158.3
[M+K]+ 259.08435 157.8
[M-H]- 219.11391 155.0
[M+Na-2H]- 241.09586 154.3
[M]+ 220.12064 152.9
[M]- 220.12174 152.9
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