CID 77623

1,2,3,4,6,7,8,9-octahydrophenazine

Structural Information

Molecular Formula
C12H16N2
SMILES
C1CCC2=C(C1)N=C3CCCCC3=N2
InChI
InChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H2
InChIKey
JYYRTWNCBVRKMN-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8,9-octahydrophenazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

178
Patents

188.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 141.2
[M+Na]+ 211.12057 146.9
[M-H]- 187.12407 142.4
[M+NH4]+ 206.16517 159.8
[M+K]+ 227.09451 143.0
[M+H-H2O]+ 171.12861 132.6
[M+HCOO]- 233.12955 156.0
[M+CH3COO]- 247.14520 152.2
[M+Na-2H]- 209.10602 149.2
[M]+ 188.13080 135.1
[M]- 188.13190 135.1
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