CID 7144656

5-methyl-4-[(4-methyl-1h-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H11N3O3
SMILES
CC1=CN(N=C1)CC2=C(ON=C2C(=O)O)C
InChI
InChI=1S/C10H11N3O3/c1-6-3-11-13(4-6)5-8-7(2)16-12-9(8)10(14)15/h3-4H,5H2,1-2H3,(H,14,15)
InChIKey
HOPCBVGVMTZTOG-UHFFFAOYSA-N
Compound name
5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08005 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08733 145.0
[M+Na]+ 244.06927 156.2
[M-H]- 220.07277 148.8
[M+NH4]+ 239.11387 161.3
[M+K]+ 260.04321 154.9
[M+H-H2O]+ 204.07731 137.6
[M+HCOO]- 266.07825 167.1
[M+CH3COO]- 280.09390 185.4
[M+Na-2H]- 242.05472 147.6
[M]+ 221.07950 150.0
[M]- 221.08060 150.0
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.