CID 69261726

N-ethyl-3-iodopyridin-2-amine

Structural Information

Molecular Formula
C7H9IN2
SMILES
CCNC1=C(C=CC=N1)I
InChI
InChI=1S/C7H9IN2/c1-2-9-7-6(8)4-3-5-10-7/h3-5H,2H2,1H3,(H,9,10)
InChIKey
WPBYBZYZADRSAT-UHFFFAOYSA-N
Compound name
N-ethyl-3-iodopyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.98105 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.988326 137.3
[M+Na]+ 270.970268 138.3
[M-H]- 246.973774 132.8
[M+NH4]+ 266.014873 152.5
[M+K]+ 286.944208 142.2
[M+H-H2O]+ 230.978310 127.2
[M+HCOO]- 292.979251 156.7
[M+CH3COO]- 306.994901 185.5
[M+Na-2H]- 268.955716 133.4
[M]+ 247.98050142 134.1
[M]- 247.98159858 134.1
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