CID 22674080

3-methylisoquinolin-6-amine

Structural Information

Molecular Formula
C10H10N2
SMILES
CC1=CC2=C(C=CC(=C2)N)C=N1
InChI
InChI=1S/C10H10N2/c1-7-4-9-5-10(11)3-2-8(9)6-12-7/h2-6H,11H2,1H3
InChIKey
LWTQIJLYJZDJQP-UHFFFAOYSA-N
Compound name
3-methylisoquinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

158.0844 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 131.1
[M+Na]+ 181.073618 140.8
[M-H]- 157.077124 134.5
[M+NH4]+ 176.118223 151.8
[M+K]+ 197.047558 137.2
[M+H-H2O]+ 141.081660 124.7
[M+HCOO]- 203.082601 154.5
[M+CH3COO]- 217.098251 145.1
[M+Na-2H]- 179.059066 140.2
[M]+ 158.08385142 129.8
[M]- 158.08494858 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

No literature data available for this compound.

Patent stripe

patents stripe