CID 13439270

5-iodo-4-methylpyrimidine

Structural Information

Molecular Formula
C5H5IN2
SMILES
CC1=NC=NC=C1I
InChI
InChI=1S/C5H5IN2/c1-4-5(6)2-7-3-8-4/h2-3H,1H3
InChIKey
UEOHKOJFUQOWKY-UHFFFAOYSA-N
Compound name
5-iodo-4-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

literature stripe

Patent stripe

patents stripe