CID 83764652

28418-38-4

Structural Information

Molecular Formula
C6H5NO3
SMILES
C1=C(N=CO1)/C=C/C(=O)O
InChI
InChI=1S/C6H5NO3/c8-6(9)2-1-5-3-10-4-7-5/h1-4H,(H,8,9)/b2-1+
InChIKey
QNLZFVHPBRIIKI-OWOJBTEDSA-N
Compound name
(E)-3-(1,3-oxazol-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

139.02695 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03423 124.6
[M+Na]+ 162.01617 133.1
[M-H]- 138.01967 126.4
[M+NH4]+ 157.06077 144.5
[M+K]+ 177.99011 132.9
[M+H-H2O]+ 122.02421 119.0
[M+HCOO]- 184.02515 147.2
[M+CH3COO]- 198.04080 166.7
[M+Na-2H]- 160.00162 131.3
[M]+ 139.02640 125.5
[M]- 139.02750 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