CID 19620037

2-[4-(methoxycarbonyl)-1h-pyrazol-1-yl]propanoic acid

Structural Information

Molecular Formula
C8H10N2O4
SMILES
CC(C(=O)O)N1C=C(C=N1)C(=O)OC
InChI
InChI=1S/C8H10N2O4/c1-5(7(11)12)10-4-6(3-9-10)8(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKey
MUJQGKGGEBRBOD-UHFFFAOYSA-N
Compound name
2-(4-methoxycarbonylpyrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.071336 140.2
[M+Na]+ 221.053278 148.0
[M-H]- 197.056784 140.3
[M+NH4]+ 216.097883 157.7
[M+K]+ 237.027218 147.9
[M+H-H2O]+ 181.061320 133.5
[M+HCOO]- 243.062261 160.0
[M+CH3COO]- 257.077911 180.7
[M+Na-2H]- 219.038726 141.9
[M]+ 198.06351142 142.3
[M]- 198.06460858 142.3
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.