CID 129871881

1-(phosphonomethyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H7N2O5P
SMILES
C1=C(N(N=C1)CP(=O)(O)O)C(=O)O
InChI
InChI=1S/C5H7N2O5P/c8-5(9)4-1-2-6-7(4)3-13(10,11)12/h1-2H,3H2,(H,8,9)(H2,10,11,12)
InChIKey
WPAVHGPVPSZWLY-UHFFFAOYSA-N
Compound name
2-(phosphonomethyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.00926 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01654 140.8
[M+Na]+ 228.99848 147.8
[M+NH4]+ 224.04308 144.2
[M+K]+ 244.97242 149.4
[M-H]- 205.00198 135.8
[M+Na-2H]- 226.98393 141.7
[M]+ 206.00871 139.6
[M]- 206.00981 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.