CID 12212055

3-methylisoquinolin-5-amine

Structural Information

Molecular Formula
C10H10N2
SMILES
CC1=CC2=C(C=CC=C2N)C=N1
InChI
InChI=1S/C10H10N2/c1-7-5-9-8(6-12-7)3-2-4-10(9)11/h2-6H,11H2,1H3
InChIKey
ZQLKOMXEZYQQBJ-UHFFFAOYSA-N
Compound name
3-methylisoquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

158.0844 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 131.1
[M+Na]+ 181.07362 140.8
[M-H]- 157.07712 134.5
[M+NH4]+ 176.11822 151.8
[M+K]+ 197.04756 137.2
[M+H-H2O]+ 141.08166 124.7
[M+HCOO]- 203.08260 154.5
[M+CH3COO]- 217.09825 145.1
[M+Na-2H]- 179.05907 140.2
[M]+ 158.08385 129.8
[M]- 158.08495 129.8
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