CID 70853098

5-iodo-4-methyl-1,3-oxazole

Structural Information

Molecular Formula
C4H4INO
SMILES
CC1=C(OC=N1)I
InChI
InChI=1S/C4H4INO/c1-3-4(5)7-2-6-3/h2H,1H3
InChIKey
NMGCBKLUUVNYIV-UHFFFAOYSA-N
Compound name
5-iodo-4-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

208.93376 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.94104 122.3
[M+Na]+ 231.92298 125.4
[M-H]- 207.92648 118.9
[M+NH4]+ 226.96758 139.9
[M+K]+ 247.89692 131.8
[M+H-H2O]+ 191.93102 113.6
[M+HCOO]- 253.93196 141.9
[M+CH3COO]- 267.94761 174.4
[M+Na-2H]- 229.90843 118.5
[M]+ 208.93321 121.5
[M]- 208.93431 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

No patent data available for this compound.