CID 7060

2-methylquinoline

Structural Information

Molecular Formula
C10H9N
SMILES
CC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
InChIKey
SMUQFGGVLNAIOZ-UHFFFAOYSA-N
Compound name
2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

126
References

22174
Patents

143.0735 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08078 126.3
[M+Na]+ 166.06272 135.9
[M-H]- 142.06622 129.9
[M+NH4]+ 161.10732 147.9
[M+K]+ 182.03666 132.8
[M+H-H2O]+ 126.07076 120.0
[M+HCOO]- 188.07170 149.3
[M+CH3COO]- 202.08735 140.8
[M+Na-2H]- 164.04817 136.9
[M]+ 143.07295 126.3
[M]- 143.07405 126.3
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