CID 42553010

5-iodo-4,6-dimethylpyridin-2-amine

Structural Information

Molecular Formula
C7H9IN2
SMILES
CC1=CC(=NC(=C1I)C)N
InChI
InChI=1S/C7H9IN2/c1-4-3-6(9)10-5(2)7(4)8/h3H,1-2H3,(H2,9,10)
InChIKey
KJDKMUXRVKLPJF-UHFFFAOYSA-N
Compound name
5-iodo-4,6-dimethylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

247.98105 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98833 137.2
[M+Na]+ 270.97027 140.0
[M-H]- 246.97377 133.1
[M+NH4]+ 266.01487 152.8
[M+K]+ 286.94421 143.7
[M+H-H2O]+ 230.97831 127.8
[M+HCOO]- 292.97925 156.1
[M+CH3COO]- 306.99490 187.0
[M+Na-2H]- 268.95572 131.0
[M]+ 247.98050 133.9
[M]- 247.98160 133.9
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