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 168.4
[M+Na]+ 293.19882 173.4
[M-H]- 269.20232 171.7
[M+NH4]+ 288.24342 184.7
[M+K]+ 309.17276 168.5
[M+H-H2O]+ 253.20686 158.4
[M+HCOO]- 315.20780 182.7
[M+CH3COO]- 329.22345 177.8
[M+Na-2H]- 291.18427 172.6
[M]+ 270.20905 163.7
[M]- 270.21015 163.7
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.