CID 4742003

1-(1,3-benzodioxol-5-yl)piperazine

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CN(CCN1)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H14N2O2/c1-2-10-11(15-8-14-10)7-9(1)13-5-3-12-4-6-13/h1-2,7,12H,3-6,8H2
InChIKey
QNCWKECHSBDMPF-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

591
Patents

206.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 143.7
[M+Na]+ 229.094748 149.5
[M-H]- 205.098254 147.5
[M+NH4]+ 224.139353 158.8
[M+K]+ 245.068688 148.3
[M+H-H2O]+ 189.102790 135.8
[M+HCOO]- 251.103731 158.3
[M+CH3COO]- 265.119381 155.0
[M+Na-2H]- 227.080196 149.5
[M]+ 206.10498142 139.2
[M]- 206.10607858 139.2
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