CID 79833

5-methylisoxazole

Structural Information

Molecular Formula
C4H5NO
SMILES
CC1=CC=NO1
InChI
InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3
InChIKey
AGQOIYCTCOEHGR-UHFFFAOYSA-N
Compound name
5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4397
Patents

83.03712 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.044396 110.9
[M+Na]+ 106.02634 123.6
[M+NH4]+ 101.07094 120.2
[M+K]+ 122.00028 120.1
[M-H]- 82.029844 113.5
[M+Na-2H]- 104.01179 117.8
[M]+ 83.036571 113.4
[M]- 83.037669 113.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe