CID 119053831

1934986-08-9

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CC(C)OC1=C(C=NN1)C(=O)O
InChI
InChI=1S/C7H10N2O3/c1-4(2)12-6-5(7(10)11)3-8-9-6/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKey
IQMQHXPBNIPKTD-UHFFFAOYSA-N
Compound name
5-propan-2-yloxy-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 135.0
[M+Na]+ 193.05836 142.8
[M-H]- 169.06186 133.6
[M+NH4]+ 188.10296 153.0
[M+K]+ 209.03230 141.6
[M+H-H2O]+ 153.06640 128.6
[M+HCOO]- 215.06734 154.2
[M+CH3COO]- 229.08299 173.7
[M+Na-2H]- 191.04381 137.7
[M]+ 170.06859 134.8
[M]- 170.06969 134.8
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.