CID 25247544

1170089-42-5

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

COC(=O)C1=NN(C=C1)CC(=O)O

InChI

InChI=1S/C7H8N2O4/c1-13-7(12)5-2-3-9(8-5)4-6(10)11/h2-3H,4H2,1H3,(H,10,11)

InChIKey

OLLOYPUWGNSGSM-UHFFFAOYSA-N

Compound name

2-(3-methoxycarbonylpyrazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 184.0484 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]+	185.05568	137.7
[M+Na]+	207.03762	146.8
[M+NH4]+	202.08222	142.7
[M+K]+	223.01156	146.1
[M-H]-	183.04112	135.0
[M+Na-2H]-	205.02307	140.4
[M]+	184.04785	137.7
[M]-	184.04895	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe