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]+ 229.097146 149.0
[M+Na]+ 251.079088 156.3
[M-H]- 227.082594 148.6
[M+NH4]+ 246.123693 164.8
[M+K]+ 267.053028 151.2
[M+H-H2O]+ 211.087130 141.3
[M+HCOO]- 273.088071 162.9
[M+CH3COO]- 287.103721 159.4
[M+Na-2H]- 249.064536 156.1
[M]+ 228.08932142 144.7
[M]- 228.09041858 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.