CID 3043408

Brn 0818180

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]+ 289.191056 171.7
[M+Na]+ 311.172998 176.3
[M-H]- 287.176504 176.3
[M+NH4]+ 306.217603 184.3
[M+K]+ 327.146938 174.4
[M+H-H2O]+ 271.181040 162.9
[M+HCOO]- 333.181981 184.8
[M+CH3COO]- 347.197631 181.3
[M+Na-2H]- 309.158446 172.6
[M]+ 288.18323142 169.9
[M]- 288.18432858 169.9
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.