CID 26188714

2742653-54-7

Structural Information

Molecular Formula
C9H9N3
SMILES
C1=CC2=NC=CN=C2C=C1CN
InChI
InChI=1S/C9H9N3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6,10H2
InChIKey
LNYPHLYYOBNSPF-UHFFFAOYSA-N
Compound name
quinoxalin-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

159.07965 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.086926 131.3
[M+Na]+ 182.068868 140.4
[M-H]- 158.072374 132.9
[M+NH4]+ 177.113473 150.1
[M+K]+ 198.042808 136.8
[M+H-H2O]+ 142.076910 123.7
[M+HCOO]- 204.077851 153.6
[M+CH3COO]- 218.093501 144.5
[M+Na-2H]- 180.054316 141.7
[M]+ 159.07910142 129.7
[M]- 159.08019858 129.7
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

patents stripe