CID 382324

Nsc669793

Structural Information

Molecular Formula
C13H11N2
SMILES
C[N+]1=CC=CC2=C1C3=C(C=CC=N3)C=C2
InChI
InChI=1S/C13H11N2/c1-15-9-3-5-11-7-6-10-4-2-8-14-12(10)13(11)15/h2-9H,1H3/q+1
InChIKey
OMFCMNFXRVWLSZ-UHFFFAOYSA-N
Compound name
1-methyl-1,10-phenanthrolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

195.09222 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09950 141.7
[M+Na]+ 218.08144 153.0
[M-H]- 194.08494 145.5
[M+NH4]+ 213.12604 160.6
[M+K]+ 234.05538 142.5
[M+H-H2O]+ 178.08948 136.3
[M+HCOO]- 240.09042 163.0
[M+CH3COO]- 254.10607 179.7
[M+Na-2H]- 216.06689 155.9
[M]+ 195.09167 142.5
[M]- 195.09277 142.5
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