CID 95069

Phenazine-1-carboxylic acid

Structural Information

Molecular Formula
C13H8N2O2
SMILES
C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)O
InChI
InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)
InChIKey
JGCSKOVQDXEQHI-UHFFFAOYSA-N
Compound name
phenazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

267
References

4309
Patents

224.05858 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06586 145.8
[M+Na]+ 247.04780 156.5
[M-H]- 223.05130 147.9
[M+NH4]+ 242.09240 162.7
[M+K]+ 263.02174 151.6
[M+H-H2O]+ 207.05584 137.8
[M+HCOO]- 269.05678 165.4
[M+CH3COO]- 283.07243 158.4
[M+Na-2H]- 245.03325 156.3
[M]+ 224.05803 147.4
[M]- 224.05913 147.4
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