CID 15750131

2-(n,n-dimethylamino)-6-iodopyrazine

Structural Information

Molecular Formula
C6H8IN3
SMILES
CN(C)C1=CN=CC(=N1)I
InChI
InChI=1S/C6H8IN3/c1-10(2)6-4-8-3-5(7)9-6/h3-4H,1-2H3
InChIKey
QACQSWJTVMYKTQ-UHFFFAOYSA-N
Compound name
6-iodo-N,N-dimethylpyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

248.97629 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.98357 133.9
[M+Na]+ 271.96551 135.5
[M-H]- 247.96901 129.6
[M+NH4]+ 267.01011 148.4
[M+K]+ 287.93945 140.8
[M+H-H2O]+ 231.97355 123.0
[M+HCOO]- 293.97449 153.0
[M+CH3COO]- 307.99014 188.5
[M+Na-2H]- 269.95096 130.3
[M]+ 248.97574 132.2
[M]- 248.97684 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe