CID 69066

2-methylbenzo[h]quinoline

Structural Information

Molecular Formula
C14H11N
SMILES
CC1=NC2=C(C=C1)C=CC3=CC=CC=C32
InChI
InChI=1S/C14H11N/c1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(12)15-10/h2-9H,1H3
InChIKey
NFXIDKHEPSPXNF-UHFFFAOYSA-N
Compound name
2-methylbenzo[h]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

193.08914 Da
Monoisotopic Mass

3.8
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

literature stripe

Patent stripe

patents stripe