CID 37030063

942206-33-9

Structural Information

Molecular Formula

SMILES

CC1=CC(=CN=C1NC)I

InChI

InChI=1S/C7H9IN2/c1-5-3-6(8)4-10-7(5)9-2/h3-4H,1-2H3,(H,9,10)

InChIKey

ZHUKYUJCPFBDHP-UHFFFAOYSA-N

Compound name

5-iodo-N,3-dimethylpyridin-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.988326	136.4
[M+Na]+	270.970268	138.3
[M-H]-	246.973774	132.3
[M+NH4]+	266.014873	152.0
[M+K]+	286.944208	142.3
[M+H-H2O]+	230.978310	126.7
[M+HCOO]-	292.979251	155.9
[M+CH3COO]-	306.994901	186.5
[M+Na-2H]-	268.955716	132.0
[M]+	247.98050142	133.7
[M]-	247.98159858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe