CID 3068083

Vufb-12241

Structural Information

Molecular Formula
C19H28N2
SMILES
CN1CCN(CC1)CCC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C19H28N2/c1-20-10-12-21(13-11-20)9-8-19-17-6-2-4-15(17)14-16-5-3-7-18(16)19/h14H,2-13H2,1H3
InChIKey
HSOSLYYNLMCIRK-UHFFFAOYSA-N
Compound name
1-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.22525 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.232526 172.9
[M+Na]+ 307.214468 177.5
[M-H]- 283.217974 177.2
[M+NH4]+ 302.259073 191.3
[M+K]+ 323.188408 172.0
[M+H-H2O]+ 267.222510 164.0
[M+HCOO]- 329.223451 186.8
[M+CH3COO]- 343.239101 182.3
[M+Na-2H]- 305.199916 170.5
[M]+ 284.22470142 167.6
[M]- 284.22579858 167.6
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.