CID 13117012

1,2-oxazol-4-ol

Structural Information

Molecular Formula
C3H3NO2
SMILES
C1=C(C=NO1)O
InChI
InChI=1S/C3H3NO2/c5-3-1-4-6-2-3/h1-2,5H
InChIKey
ABFBKQBATYREHU-UHFFFAOYSA-N
Compound name
1,2-oxazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

565
Patents

85.01638 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.023656 108.9
[M+Na]+ 108.00560 118.4
[M-H]- 84.009104 111.0
[M+NH4]+ 103.05020 131.2
[M+K]+ 123.97954 119.3
[M+H-H2O]+ 68.013640 103.9
[M+HCOO]- 130.01458 132.9
[M+CH3COO]- 144.03023 157.2
[M+Na-2H]- 105.99105 118.5
[M]+ 85.015831 109.5
[M]- 85.016929 109.5
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