CID 58329823

1202248-05-2

Structural Information

Molecular Formula
C8H7N3O3
SMILES
CN1C(=CC=N1)C2=NC(=CO2)C(=O)O
InChI
InChI=1S/C8H7N3O3/c1-11-6(2-3-9-11)7-10-5(4-14-7)8(12)13/h2-4H,1H3,(H,12,13)
InChIKey
PDTVTBJBJBAQJL-UHFFFAOYSA-N
Compound name
2-(2-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

193.04874 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.056016 135.7
[M+Na]+ 216.037958 146.9
[M-H]- 192.041464 139.5
[M+NH4]+ 211.082563 152.8
[M+K]+ 232.011898 146.1
[M+H-H2O]+ 176.046000 128.4
[M+HCOO]- 238.046941 158.5
[M+CH3COO]- 252.062591 178.2
[M+Na-2H]- 214.023406 140.1
[M]+ 193.04819142 139.7
[M]- 193.04928858 139.7
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

patents stripe