CID 58081125

4-iodo-3-methylpyridin-2-amine

Structural Information

Molecular Formula
C6H7IN2
SMILES
CC1=C(C=CN=C1N)I
InChI
InChI=1S/C6H7IN2/c1-4-5(7)2-3-9-6(4)8/h2-3H,1H3,(H2,8,9)
InChIKey
JLFQOFYCRYVKQT-UHFFFAOYSA-N
Compound name
4-iodo-3-methylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

233.9654 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.972676 133.3
[M+Na]+ 256.954618 135.6
[M-H]- 232.958124 128.9
[M+NH4]+ 251.999223 149.1
[M+K]+ 272.928558 139.4
[M+H-H2O]+ 216.962660 123.7
[M+HCOO]- 278.963601 152.4
[M+CH3COO]- 292.979251 183.0
[M+Na-2H]- 254.940066 128.2
[M]+ 233.96485142 129.2
[M]- 233.96594858 129.2
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