CID 276224

2-amino-3-chloropyrazine

Structural Information

Molecular Formula
C4H4ClN3
SMILES
C1=CN=C(C(=N1)N)Cl
InChI
InChI=1S/C4H4ClN3/c5-3-4(6)8-2-1-7-3/h1-2H,(H2,6,8)
InChIKey
AEVSSZHXGJAPIE-UHFFFAOYSA-N
Compound name
3-chloropyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1117
Patents

129.00937 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.01665 120.3
[M+Na]+ 151.99859 130.6
[M-H]- 128.00209 121.1
[M+NH4]+ 147.04319 140.2
[M+K]+ 167.97253 127.4
[M+H-H2O]+ 112.00663 114.2
[M+HCOO]- 174.00757 139.5
[M+CH3COO]- 188.02322 170.7
[M+Na-2H]- 149.98404 129.3
[M]+ 129.00882 119.8
[M]- 129.00992 119.8
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