CID 91618242

(4-iodo-3-methylisoxazol-5-yl)methanol

Structural Information

Molecular Formula
C5H6INO2
SMILES
CC1=NOC(=C1I)CO
InChI
InChI=1S/C5H6INO2/c1-3-5(6)4(2-8)9-7-3/h8H,2H2,1H3
InChIKey
JWROZXJJWOCEJO-UHFFFAOYSA-N
Compound name
(4-iodo-3-methyl-1,2-oxazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

238.94434 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.951616 132.5
[M+Na]+ 261.933558 135.5
[M-H]- 237.937064 128.0
[M+NH4]+ 256.978163 148.5
[M+K]+ 277.907498 141.1
[M+H-H2O]+ 221.941600 123.8
[M+HCOO]- 283.942541 150.4
[M+CH3COO]- 297.958191 177.7
[M+Na-2H]- 259.919006 126.8
[M]+ 238.94379142 131.9
[M]- 238.94488858 131.9
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