CID 16792271

954269-06-8

Structural Information

Molecular Formula
C15H17N3
SMILES
C1CN(CC2=CC=CC=C21)C3=NC=C(C=C3)CN
InChI
InChI=1S/C15H17N3/c16-9-12-5-6-15(17-10-12)18-8-7-13-3-1-2-4-14(13)11-18/h1-6,10H,7-9,11,16H2
InChIKey
GCHRNHRZICICMB-UHFFFAOYSA-N
Compound name
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.14224 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14952 155.2
[M+Na]+ 262.13146 161.9
[M-H]- 238.13496 159.0
[M+NH4]+ 257.17606 170.3
[M+K]+ 278.10540 156.4
[M+H-H2O]+ 222.13950 145.7
[M+HCOO]- 284.14044 173.9
[M+CH3COO]- 298.15609 166.0
[M+Na-2H]- 260.11691 162.1
[M]+ 239.14169 150.6
[M]- 239.14279 150.6
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.