CID 3043408

55436-39-0

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC(=CCN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C
InChI
InChI=1S/C17H24N2O2/c1-14(2)5-6-18-7-9-19(10-8-18)12-15-3-4-16-17(11-15)21-13-20-16/h3-5,11H,6-10,12-13H2,1-2H3
InChIKey
FPRZNKBMDUNEAH-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methylbut-2-enyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 170.9
[M+Na]+ 311.17300 182.4
[M+NH4]+ 306.21760 178.4
[M+K]+ 327.14694 177.8
[M-H]- 287.17650 176.0
[M+Na-2H]- 309.15845 173.9
[M]+ 288.18323 173.8
[M]- 288.18433 173.8
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

No patent data available for this compound.