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

2
Patents

238.94434 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.95162 132.5
[M+Na]+ 261.93356 135.5
[M-H]- 237.93706 128.0
[M+NH4]+ 256.97816 148.5
[M+K]+ 277.90750 141.1
[M+H-H2O]+ 221.94160 123.8
[M+HCOO]- 283.94254 150.4
[M+CH3COO]- 297.95819 177.7
[M+Na-2H]- 259.91901 126.8
[M]+ 238.94379 131.9
[M]- 238.94489 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

No patent data available for this compound.