CID 6797

3-methylbenzo[f]quinoline

Structural Information

Molecular Formula
C14H11N
SMILES
CC1=NC2=C(C=C1)C3=CC=CC=C3C=C2
InChI
InChI=1S/C14H11N/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15-10/h2-9H,1H3
InChIKey
SUHRSZJZYUCLOD-UHFFFAOYSA-N
Compound name
3-methylbenzo[f]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

193.08914 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09642 139.5
[M+Na]+ 216.07836 158.1
[M+NH4]+ 211.12296 150.9
[M+K]+ 232.05230 148.0
[M-H]- 192.08186 144.7
[M+Na-2H]- 214.06381 150.2
[M]+ 193.08859 144.1
[M]- 193.08969 144.1
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