CID 119058155

(1r,10as)-1,4,10,10a-tetrahydrophenazine-1-carboxylate

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C1C=C[C@H]([C@H]2C1=NC3=CC=CC=C3N2)C(=O)O
InChI
InChI=1S/C13H12N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-6,8,12,15H,7H2,(H,16,17)/t8-,12+/m1/s1
InChIKey
RMSOWPIMGWWPCR-PELKAZGASA-N
Compound name
(1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

228.08987 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.0
[M+Na]+ 251.07909 156.3
[M-H]- 227.08259 148.6
[M+NH4]+ 246.12369 164.8
[M+K]+ 267.05303 151.2
[M+H-H2O]+ 211.08713 141.3
[M+HCOO]- 273.08807 162.9
[M+CH3COO]- 287.10372 159.4
[M+Na-2H]- 249.06454 156.1
[M]+ 228.08932 144.7
[M]- 228.09042 144.7
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

No patent data available for this compound.