CID 12905097

102790-36-3

Structural Information

Molecular Formula
C4H5NO2
SMILES
C1=C(C=NO1)CO
InChI
InChI=1S/C4H5NO2/c6-2-4-1-5-7-3-4/h1,3,6H,2H2
InChIKey
YUXAURUEOIQGKA-UHFFFAOYSA-N
Compound name
1,2-oxazol-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

99.03203 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.039306 113.7
[M+Na]+ 122.021248 122.7
[M-H]- 98.024754 115.6
[M+NH4]+ 117.065853 135.4
[M+K]+ 137.995188 123.3
[M+H-H2O]+ 82.029290 108.4
[M+HCOO]- 144.030231 137.4
[M+CH3COO]- 158.045881 160.2
[M+Na-2H]- 120.006696 122.7
[M]+ 99.03148142 114.6
[M]- 99.03257858 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