CID 3080024

126921-48-0

Structural Information

Molecular Formula
C16H20N2
SMILES
C1CCN(CC1)CCC2=NC=CC3=CC=CC=C32
InChI
InChI=1S/C16H20N2/c1-4-11-18(12-5-1)13-9-16-15-7-3-2-6-14(15)8-10-17-16/h2-3,6-8,10H,1,4-5,9,11-13H2
InChIKey
LOYAWKCTCLZNGA-UHFFFAOYSA-N
Compound name
1-(2-piperidin-1-ylethyl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.16264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 157.1
[M+Na]+ 263.15186 162.0
[M-H]- 239.15536 160.3
[M+NH4]+ 258.19646 172.2
[M+K]+ 279.12580 156.9
[M+H-H2O]+ 223.15990 147.1
[M+HCOO]- 285.16084 173.5
[M+CH3COO]- 299.17649 167.1
[M+Na-2H]- 261.13731 163.3
[M]+ 240.16209 152.4
[M]- 240.16319 152.4
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.