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)-3-pyridinyl]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]+ 240.149516 155.2
[M+Na]+ 262.131458 161.9
[M-H]- 238.134964 159.0
[M+NH4]+ 257.176063 170.3
[M+K]+ 278.105398 156.4
[M+H-H2O]+ 222.139500 145.7
[M+HCOO]- 284.140441 173.9
[M+CH3COO]- 298.156091 166.0
[M+Na-2H]- 260.116906 162.1
[M]+ 239.14169142 150.6
[M]- 239.14278858 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.