CID 80365558

4-iodo-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C3H3IN2O
SMILES
C1=NOC(=C1I)N
InChI
InChI=1S/C3H3IN2O/c4-2-1-6-7-3(2)5/h1H,5H2
InChIKey
YOVHSUHGQGPZOF-UHFFFAOYSA-N
Compound name
4-iodo-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.92902 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.93630 126.6
[M+Na]+ 232.91824 129.1
[M-H]- 208.92174 122.8
[M+NH4]+ 227.96284 143.4
[M+K]+ 248.89218 135.1
[M+H-H2O]+ 192.92628 117.3
[M+HCOO]- 254.92722 146.6
[M+CH3COO]- 268.94287 175.3
[M+Na-2H]- 230.90369 122.1
[M]+ 209.92847 123.6
[M]- 209.92957 123.6
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

No patent data available for this compound.