CID 3078147

3(2h)-isoquniolinimine, 1,4-dihydro-, hydriodide

Structural Information

Molecular Formula
C9H10N2
SMILES
C1C2=CC=CC=C2CN=C1N
InChI
InChI=1S/C9H10N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2,(H2,10,11)
InChIKey
DWCRZJQBEIMDMK-UHFFFAOYSA-N
Compound name
1,4-dihydroisoquinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

146.0844 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 127.7
[M+Na]+ 169.07362 135.8
[M-H]- 145.07712 130.5
[M+NH4]+ 164.11822 148.4
[M+K]+ 185.04756 132.7
[M+H-H2O]+ 129.08166 121.2
[M+HCOO]- 191.08260 150.0
[M+CH3COO]- 205.09825 141.2
[M+Na-2H]- 167.05907 137.1
[M]+ 146.08385 124.2
[M]- 146.08495 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe