CID 566272

2-(pyrimidin-2-yloxy)acetic acid

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

C1=CN=C(N=C1)OCC(=O)O

InChI

InChI=1S/C6H6N2O3/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)

InChIKey

UYLACHNUJGRAJZ-UHFFFAOYSA-N

Compound name

2-pyrimidin-2-yloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 154.03784 Da
Monoisotopic Mass: 0.1
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]+	155.045116	127.9
[M+Na]+	177.027058	136.0
[M-H]-	153.030564	127.6
[M+NH4]+	172.071663	145.2
[M+K]+	193.000998	135.1
[M+H-H2O]+	137.035100	120.8
[M+HCOO]-	199.036041	149.2
[M+CH3COO]-	213.051691	171.1
[M+Na-2H]-	175.012506	136.1
[M]+	154.03729142	128.8
[M]-	154.03838858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe