CID 83764652

(2e)-3-(1,3-oxazol-4-yl)prop-2-enoic acid, e

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 126.3
[M+Na]+ 162.01617 136.7
[M+NH4]+ 157.06077 132.9
[M+K]+ 177.99011 134.7
[M-H]- 138.01967 126.5
[M+Na-2H]- 160.00162 130.3
[M]+ 139.02640 127.4
[M]- 139.02750 127.4
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