CID 606970

1,10-phenanthrolin-5-amine

Structural Information

Molecular Formula
C12H9N3
SMILES
C1=CC2=CC(=C3C=CC=NC3=C2N=C1)N
InChI
InChI=1S/C12H9N3/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,13H2
InChIKey
DKPSSMOJHLISJI-UHFFFAOYSA-N
Compound name
1,10-phenanthrolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

748
Patents

195.07965 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.086926 139.1
[M+Na]+ 218.068868 150.3
[M-H]- 194.072374 142.1
[M+NH4]+ 213.113473 157.7
[M+K]+ 234.042808 144.8
[M+H-H2O]+ 178.076910 131.0
[M+HCOO]- 240.077851 161.5
[M+CH3COO]- 254.093501 152.5
[M+Na-2H]- 216.054316 151.3
[M]+ 195.07910142 139.2
[M]- 195.08019858 139.2
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