CID 14306

3-methylisoquinoline

Structural Information

Molecular Formula
C10H9N
SMILES
CC1=CC2=CC=CC=C2C=N1
InChI
InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
InChIKey
FVVXWRGARUACNW-UHFFFAOYSA-N
Compound name
3-methylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2278
Patents

143.0735 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08078 127.1
[M+Na]+ 166.06272 143.2
[M+NH4]+ 161.10732 137.9
[M+K]+ 182.03666 134.7
[M-H]- 142.06622 131.1
[M+Na-2H]- 164.04817 136.8
[M]+ 143.07295 130.8
[M]- 143.07405 130.8
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