CID 1419103

1-(isoquinolin-1-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C10H10N2
SMILES
C1=CC=C2C(=C1)C=CN=C2CN
InChI
InChI=1S/C10H10N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H,7,11H2
InChIKey
FEWQWMKPPJZYCQ-UHFFFAOYSA-N
Compound name
isoquinolin-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

158.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 130.8
[M+Na]+ 181.07362 139.5
[M-H]- 157.07712 133.8
[M+NH4]+ 176.11822 151.2
[M+K]+ 197.04756 135.9
[M+H-H2O]+ 141.08166 124.1
[M+HCOO]- 203.08260 154.2
[M+CH3COO]- 217.09825 144.5
[M+Na-2H]- 179.05907 140.7
[M]+ 158.08385 129.1
[M]- 158.08495 129.1
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