CID 64450593

1-(2-(2-methoxyethoxy)ethyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H14N2O4
SMILES
COCCOCCN1C(=CC=N1)C(=O)O
InChI
InChI=1S/C9H14N2O4/c1-14-6-7-15-5-4-11-8(9(12)13)2-3-10-11/h2-3H,4-7H2,1H3,(H,12,13)
InChIKey
OWJYOZVANRHWDC-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethoxy)ethyl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09535 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10263 145.4
[M+Na]+ 237.08457 152.9
[M-H]- 213.08807 144.9
[M+NH4]+ 232.12917 162.4
[M+K]+ 253.05851 152.1
[M+H-H2O]+ 197.09261 138.0
[M+HCOO]- 259.09355 166.7
[M+CH3COO]- 273.10920 183.4
[M+Na-2H]- 235.07002 148.9
[M]+ 214.09480 149.9
[M]- 214.09590 149.9
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

No patent data available for this compound.