CID 170172

2-methylbenzo[f]quinoline

Structural Information

Molecular Formula
C14H11N
SMILES
CC1=CC2=C(C=CC3=CC=CC=C32)N=C1
InChI
InChI=1S/C14H11N/c1-10-8-13-12-5-3-2-4-11(12)6-7-14(13)15-9-10/h2-9H,1H3
InChIKey
GDYIXQSZWGQBMB-UHFFFAOYSA-N
Compound name
2-methylbenzo[f]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

193.08914 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.096416 139.0
[M+Na]+ 216.078358 150.1
[M-H]- 192.081864 143.8
[M+NH4]+ 211.122963 159.7
[M+K]+ 232.052298 145.0
[M+H-H2O]+ 176.086400 131.7
[M+HCOO]- 238.087341 161.8
[M+CH3COO]- 252.102991 153.2
[M+Na-2H]- 214.063806 150.6
[M]+ 193.08859142 140.8
[M]- 193.08968858 140.8
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