CID 50988984

5-(1-methyl-1h-pyrazol-4-yl)-1,3-oxazole-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04874 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05602 135.7
[M+Na]+ 216.03796 146.9
[M-H]- 192.04146 139.5
[M+NH4]+ 211.08256 152.8
[M+K]+ 232.01190 146.1
[M+H-H2O]+ 176.04600 128.4
[M+HCOO]- 238.04694 158.5
[M+CH3COO]- 252.06259 178.2
[M+Na-2H]- 214.02341 140.1
[M]+ 193.04819 139.7
[M]- 193.04929 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

No patent data available for this compound.