CID 18758985

1,3-oxazol-5-ylmethanol

Structural Information

Molecular Formula
C4H5NO2
SMILES
C1=C(OC=N1)CO
InChI
InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h1,3,6H,2H2
InChIKey
CRPXMLXYMBLZEP-UHFFFAOYSA-N
Compound name
1,3-oxazol-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

364
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 113.7
[M+Na]+ 122.02125 122.7
[M-H]- 98.024754 115.6
[M+NH4]+ 117.06585 135.4
[M+K]+ 137.99519 123.3
[M+H-H2O]+ 82.029290 108.4
[M+HCOO]- 144.03023 137.4
[M+CH3COO]- 158.04588 160.2
[M+Na-2H]- 120.00670 122.7
[M]+ 99.031481 114.6
[M]- 99.032579 114.6
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