CID 613638

5-iodo-2,4-dimethyl-1h-imidazole

Structural Information

Molecular Formula
C5H7IN2
SMILES
CC1=C(N=C(N1)C)I
InChI
InChI=1S/C5H7IN2/c1-3-5(6)8-4(2)7-3/h1-2H3,(H,7,8)
InChIKey
GMGMFDAYRXIPQV-UHFFFAOYSA-N
Compound name
4-iodo-2,5-dimethyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

221.9654 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.97268 125.7
[M+Na]+ 244.95462 128.9
[M-H]- 220.95812 119.4
[M+NH4]+ 239.99922 142.4
[M+K]+ 260.92856 132.8
[M+H-H2O]+ 204.96266 116.4
[M+HCOO]- 266.96360 143.1
[M+CH3COO]- 280.97925 176.6
[M+Na-2H]- 242.94007 119.6
[M]+ 221.96485 122.5
[M]- 221.96595 122.5
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