CID 93149

4-methyl-1,10-phenanthroline

Structural Information

Molecular Formula
C13H10N2
SMILES
CC1=C2C=CC3=C(C2=NC=C1)N=CC=C3
InChI
InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3
InChIKey
NAZZKEZTSOOCSZ-UHFFFAOYSA-N
Compound name
4-methyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

416
Patents

194.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.091676 139.9
[M+Na]+ 217.073618 151.4
[M-H]- 193.077124 143.3
[M+NH4]+ 212.118223 159.0
[M+K]+ 233.047558 146.2
[M+H-H2O]+ 177.081660 131.7
[M+HCOO]- 239.082601 161.5
[M+CH3COO]- 253.098251 153.6
[M+Na-2H]- 215.059066 151.9
[M]+ 194.08385142 141.8
[M]- 194.08494858 141.8
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