CID 22978454

N-methylisoquinolin-1-amine

Structural Information

Molecular Formula
C10H10N2
SMILES
CNC1=NC=CC2=CC=CC=C21
InChI
InChI=1S/C10H10N2/c1-11-10-9-5-3-2-4-8(9)6-7-12-10/h2-7H,1H3,(H,11,12)
InChIKey
BILUZSWZYDFPMN-UHFFFAOYSA-N
Compound name
N-methylisoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

158.0844 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 130.2
[M+Na]+ 181.073618 138.9
[M-H]- 157.077124 133.7
[M+NH4]+ 176.118223 150.8
[M+K]+ 197.047558 135.7
[M+H-H2O]+ 141.081660 123.5
[M+HCOO]- 203.082601 154.2
[M+CH3COO]- 217.098251 144.2
[M+Na-2H]- 179.059066 141.1
[M]+ 158.08385142 129.5
[M]- 158.08494858 129.5
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