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

13
Patents

233.9654 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97268 133.3
[M+Na]+ 256.95462 135.6
[M-H]- 232.95812 128.9
[M+NH4]+ 251.99922 149.1
[M+K]+ 272.92856 139.4
[M+H-H2O]+ 216.96266 123.7
[M+HCOO]- 278.96360 152.4
[M+CH3COO]- 292.97925 183.0
[M+Na-2H]- 254.94007 128.2
[M]+ 233.96485 129.2
[M]- 233.96595 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