CID 39733698

6-methylisoquinolin-5-amine

Structural Information

Molecular Formula
C10H10N2
SMILES
CC1=C(C2=C(C=C1)C=NC=C2)N
InChI
InChI=1S/C10H10N2/c1-7-2-3-8-6-12-5-4-9(8)10(7)11/h2-6H,11H2,1H3
InChIKey
XNKLDBHXRXKNOR-UHFFFAOYSA-N
Compound name
6-methylisoquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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

No literature data available for this compound.

Patent stripe

patents stripe