CID 1514129

(3-chloropyrazin-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C5H6ClN3
SMILES
C1=CN=C(C(=N1)CN)Cl
InChI
InChI=1S/C5H6ClN3/c6-5-4(3-7)8-1-2-9-5/h1-2H,3,7H2
InChIKey
PODCTQRYFHFTPT-UHFFFAOYSA-N
Compound name
(3-chloropyrazin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

732
Patents

143.02502 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.03230 124.8
[M+Na]+ 166.01424 134.8
[M-H]- 142.01774 125.5
[M+NH4]+ 161.05884 144.2
[M+K]+ 181.98818 131.3
[M+H-H2O]+ 126.02228 118.6
[M+HCOO]- 188.02322 143.8
[M+CH3COO]- 202.03887 173.7
[M+Na-2H]- 163.99969 133.4
[M]+ 143.02447 124.7
[M]- 143.02557 124.7
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