CID 15930578

4-oxazolemethanol

Structural Information

Molecular Formula
C4H5NO2
SMILES
C1=C(N=CO1)CO
InChI
InChI=1S/C4H5NO2/c6-1-4-2-7-3-5-4/h2-3,6H,1H2
InChIKey
BKHIXCNJVHVHAG-UHFFFAOYSA-N
Compound name
1,3-oxazol-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

99.03203 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.03931 114.8
[M+Na]+ 122.02125 126.4
[M+NH4]+ 117.06585 123.0
[M+K]+ 137.99519 123.7
[M-H]- 98.024754 116.3
[M+Na-2H]- 120.00670 120.5
[M]+ 99.031481 116.6
[M]- 99.032579 116.6
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