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]+ 248.98833 137.3
[M+Na]+ 270.97027 138.3
[M-H]- 246.97377 132.8
[M+NH4]+ 266.01487 152.5
[M+K]+ 286.94421 142.2
[M+H-H2O]+ 230.97831 127.2
[M+HCOO]- 292.97925 156.7
[M+CH3COO]- 306.99490 185.5
[M+Na-2H]- 268.95572 133.4
[M]+ 247.98050 134.1
[M]- 247.98160 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