CID 72792

4,7-dimethyl-1,10-phenanthroline

Structural Information

Molecular Formula
C14H12N2
SMILES
CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C
InChI
InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
InChIKey
JIVLDFFWTQYGSR-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

2952
Patents

208.10005 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.107326 145.0
[M+Na]+ 231.089268 157.0
[M-H]- 207.092774 148.6
[M+NH4]+ 226.133873 163.9
[M+K]+ 247.063208 151.6
[M+H-H2O]+ 191.097310 136.8
[M+HCOO]- 253.098251 166.2
[M+CH3COO]- 267.113901 158.6
[M+Na-2H]- 229.074716 155.7
[M]+ 208.09950142 147.6
[M]- 208.10059858 147.6
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