CID 10855978

(2e)-3-(3-chloro-1,2-oxazol-5-yl)prop-2-enoic acid

Structural Information

Molecular Formula

C₆H₄ClNO₃

SMILES

C1=C(ON=C1Cl)/C=C/C(=O)O

InChI

InChI=1S/C6H4ClNO3/c7-5-3-4(11-8-5)1-2-6(9)10/h1-3H,(H,9,10)/b2-1+

InChIKey

SIEZRBMEOIIOCO-OWOJBTEDSA-N

Compound name

(E)-3-(3-chloro-1,2-oxazol-5-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.98798 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	173.99526	130.9
[M+Na]+	195.97720	142.5
[M+NH4]+	191.02180	137.8
[M+K]+	211.95114	139.8
[M-H]-	171.98070	131.1
[M+Na-2H]-	193.96265	134.8
[M]+	172.98743	132.6
[M]-	172.98853	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe