CID 12905096

1,2-oxazol-3-ylmethanol

Structural Information

Molecular Formula
C4H5NO2
SMILES
C1=CON=C1CO
InChI
InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2
InChIKey
GBCAGXLDCTZCCT-UHFFFAOYSA-N
Compound name
1,2-oxazol-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

669
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

literature stripe

Patent stripe

patents stripe