CID 66751696

2-ethyl-5-iodo-1h-imidazole

Structural Information

Molecular Formula
C5H7IN2
SMILES
CCC1=NC=C(N1)I
InChI
InChI=1S/C5H7IN2/c1-2-5-7-3-4(6)8-5/h3H,2H2,1H3,(H,7,8)
InChIKey
CNFQZAFFDQZUAS-UHFFFAOYSA-N
Compound name
2-ethyl-5-iodo-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

221.9654 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.97268 126.7
[M+Na]+ 244.95462 129.1
[M-H]- 220.95812 120.0
[M+NH4]+ 239.99922 143.1
[M+K]+ 260.92856 132.9
[M+H-H2O]+ 204.96266 117.1
[M+HCOO]- 266.96360 144.1
[M+CH3COO]- 280.97925 175.5
[M+Na-2H]- 242.94007 121.2
[M]+ 221.96485 123.2
[M]- 221.96595 123.2
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