CID 610310

5-iodo-4-methyl-1h-imidazole

Structural Information

Molecular Formula
C4H5IN2
SMILES
CC1=C(N=CN1)I
InChI
InChI=1S/C4H5IN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
InChIKey
YKQGANWRJDKVAD-UHFFFAOYSA-N
Compound name
4-iodo-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

207.94975 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.95703 123.7
[M+Na]+ 230.93897 128.0
[M+NH4]+ 225.98357 127.7
[M+K]+ 246.91291 127.6
[M-H]- 206.94247 117.8
[M+Na-2H]- 228.92442 117.3
[M]+ 207.94920 121.4
[M]- 207.95030 121.4
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