CID 10558709

92096-06-5

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC(=O)C1=NOC(=C1)CO
InChI
InChI=1S/C6H7NO3/c1-4(9)6-2-5(3-8)10-7-6/h2,8H,3H2,1H3
InChIKey
TYSIOSQTKJIFMJ-UHFFFAOYSA-N
Compound name
1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

141.04259 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 125.0
[M+Na]+ 164.031808 134.1
[M-H]- 140.035314 127.2
[M+NH4]+ 159.076413 145.2
[M+K]+ 180.005748 134.4
[M+H-H2O]+ 124.039850 119.6
[M+HCOO]- 186.040791 147.4
[M+CH3COO]- 200.056441 169.4
[M+Na-2H]- 162.017256 131.0
[M]+ 141.04204142 127.1
[M]- 141.04313858 127.1
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