CID 70169758

2344678-84-6

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

COC(=O)C(=O)C1=NC=CN1

InChI

InChI=1S/C6H6N2O3/c1-11-6(10)4(9)5-7-2-3-8-5/h2-3H,1H3,(H,7,8)

InChIKey

IYDDHCFCOJDLFM-UHFFFAOYSA-N

Compound name

methyl 2-(1H-imidazol-2-yl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	129.1
[M+Na]+	177.027058	137.2
[M-H]-	153.030564	129.0
[M+NH4]+	172.071663	148.2
[M+K]+	193.000998	136.6
[M+H-H2O]+	137.035100	122.4
[M+HCOO]-	199.036041	150.4
[M+CH3COO]-	213.051691	170.4
[M+Na-2H]-	175.012506	133.6
[M]+	154.03729142	129.3
[M]-	154.03838858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe