CID 64449731

1343332-24-0

Structural Information

Molecular Formula
C9H14N2O4
SMILES
COCCOCCN1C=CC(=N1)C(=O)O
InChI
InChI=1S/C9H14N2O4/c1-14-6-7-15-5-4-11-3-2-8(10-11)9(12)13/h2-3H,4-7H2,1H3,(H,12,13)
InChIKey
YTKKSEPPCANWRA-UHFFFAOYSA-N
Compound name
1-[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]+ 215.102626 145.4
[M+Na]+ 237.084568 152.9
[M-H]- 213.088074 144.9
[M+NH4]+ 232.129173 162.4
[M+K]+ 253.058508 152.1
[M+H-H2O]+ 197.092610 138.0
[M+HCOO]- 259.093551 166.7
[M+CH3COO]- 273.109201 183.4
[M+Na-2H]- 235.070016 148.9
[M]+ 214.09480142 149.9
[M]- 214.09589858 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.