CID 37030063

942206-33-9

Structural Information

Molecular Formula
C7H9IN2
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

0
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 136.4
[M+Na]+ 270.97027 138.3
[M-H]- 246.97377 132.3
[M+NH4]+ 266.01487 152.0
[M+K]+ 286.94421 142.3
[M+H-H2O]+ 230.97831 126.7
[M+HCOO]- 292.97925 155.9
[M+CH3COO]- 306.99490 186.5
[M+Na-2H]- 268.95572 132.0
[M]+ 247.98050 133.7
[M]- 247.98160 133.7
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

No patent data available for this compound.