CID 1229942

80761-01-9

Structural Information

Molecular Formula
C20H30N2
SMILES
CN1CCN(CC1)CCCC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C20H30N2/c1-21-11-13-22(14-12-21)10-4-9-20-18-7-2-5-16(18)15-17-6-3-8-19(17)20/h15H,2-14H2,1H3
InChIKey
UJBPEWZROYJELR-UHFFFAOYSA-N
Compound name
1-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2409 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.24818 177.4
[M+Na]+ 321.23012 181.5
[M-H]- 297.23362 181.5
[M+NH4]+ 316.27472 195.2
[M+K]+ 337.20406 175.8
[M+H-H2O]+ 281.23816 168.3
[M+HCOO]- 343.23910 190.9
[M+CH3COO]- 357.25475 186.3
[M+Na-2H]- 319.21557 174.4
[M]+ 298.24035 172.4
[M]- 298.24145 172.4
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.