CID 3079744

126356-34-1

Structural Information

Molecular Formula
C18H26N2
SMILES
CC1(CC2=CC=CC=C2C(=N1)CCN3CCCCC3)C
InChI
InChI=1S/C18H26N2/c1-18(2)14-15-8-4-5-9-16(15)17(19-18)10-13-20-11-6-3-7-12-20/h4-5,8-9H,3,6-7,10-14H2,1-2H3
InChIKey
JFXKJQYMERYCJD-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-(2-piperidin-1-ylethyl)-4H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.2096 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.21688 169.1
[M+Na]+ 293.19882 183.1
[M+NH4]+ 288.24342 180.1
[M+K]+ 309.17276 171.7
[M-H]- 269.20232 174.0
[M+Na-2H]- 291.18427 177.7
[M]+ 270.20905 172.8
[M]- 270.21015 172.8
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.