CID 89688680

2-iodo-5-methyl-1,3-oxazole

Structural Information

Molecular Formula
C4H4INO
SMILES
CC1=CN=C(O1)I
InChI
InChI=1S/C4H4INO/c1-3-2-6-4(5)7-3/h2H,1H3
InChIKey
ZGZXJLBRWYRNNE-UHFFFAOYSA-N
Compound name
2-iodo-5-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

208.93376 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.941036 122.3
[M+Na]+ 231.922978 125.4
[M-H]- 207.926484 118.9
[M+NH4]+ 226.967583 139.9
[M+K]+ 247.896918 131.8
[M+H-H2O]+ 191.931020 113.6
[M+HCOO]- 253.931961 141.9
[M+CH3COO]- 267.947611 174.4
[M+Na-2H]- 229.908426 118.5
[M]+ 208.93321142 121.5
[M]- 208.93430858 121.5
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