CID 25313306

4-iodo-3-methyl-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C4H5IN2O
SMILES
CC1=NOC(=C1I)N
InChI
InChI=1S/C4H5IN2O/c1-2-3(5)4(6)8-7-2/h6H2,1H3
InChIKey
QYDXMTSFXGDDNY-UHFFFAOYSA-N
Compound name
4-iodo-3-methyl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.94466 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.951936 130.7
[M+Na]+ 246.933878 133.8
[M-H]- 222.937384 127.2
[M+NH4]+ 241.978483 147.4
[M+K]+ 262.907818 139.5
[M+H-H2O]+ 206.941920 121.6
[M+HCOO]- 268.942861 150.5
[M+CH3COO]- 282.958511 179.3
[M+Na-2H]- 244.919326 125.1
[M]+ 223.94411142 128.5
[M]- 223.94520858 128.5
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

No patent data available for this compound.