CID 22486141

4-iodo-2-methylpyrimidine

Structural Information

Molecular Formula
C5H5IN2
SMILES
CC1=NC=CC(=N1)I
InChI
InChI=1S/C5H5IN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3
InChIKey
MTSMVADXHUTRBK-UHFFFAOYSA-N
Compound name
4-iodo-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

219.94975 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.95703 125.2
[M+Na]+ 242.93897 131.8
[M+NH4]+ 237.98357 129.8
[M+K]+ 258.91291 128.8
[M-H]- 218.94247 120.7
[M+Na-2H]- 240.92442 121.1
[M]+ 219.94920 123.8
[M]- 219.95030 123.8
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