CID 19777711

871722-51-9

Structural Information

Molecular Formula
C6H5NO3
SMILES
C1=COC(=N1)/C=C/C(=O)O
InChI
InChI=1S/C6H5NO3/c8-6(9)2-1-5-7-3-4-10-5/h1-4H,(H,8,9)/b2-1+
InChIKey
LAGHCCNIKUMZQM-OWOJBTEDSA-N
Compound name
(E)-3-(1,3-oxazol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

139.02695 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.034226 124.6
[M+Na]+ 162.016168 133.1
[M-H]- 138.019674 126.4
[M+NH4]+ 157.060773 144.5
[M+K]+ 177.990108 132.9
[M+H-H2O]+ 122.024210 119.0
[M+HCOO]- 184.025151 147.2
[M+CH3COO]- 198.040801 166.7
[M+Na-2H]- 160.001616 131.3
[M]+ 139.02640142 125.5
[M]- 139.02749858 125.5
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