CID 241488

Quinoxaline-2,3-diamine

Structural Information

Molecular Formula
C8H8N4
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)N)N
InChI
InChI=1S/C8H8N4/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,9,11)(H2,10,12)
InChIKey
LUDZVVVPVCUUBP-UHFFFAOYSA-N
Compound name
quinoxaline-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

216
Patents

160.07489 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.082166 131.0
[M+Na]+ 183.064108 140.8
[M-H]- 159.067614 132.7
[M+NH4]+ 178.108713 149.5
[M+K]+ 199.038048 137.0
[M+H-H2O]+ 143.072150 123.7
[M+HCOO]- 205.073091 154.1
[M+CH3COO]- 219.088741 144.3
[M+Na-2H]- 181.049556 140.6
[M]+ 160.07434142 127.9
[M]- 160.07543858 127.9
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