CID 1265501

5-amino-3-methyl-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O3
SMILES
CC1=NOC(=C1C(=O)O)N
InChI
InChI=1S/C5H6N2O3/c1-2-3(5(8)9)4(6)10-7-2/h6H2,1H3,(H,8,9)
InChIKey
CNZBKZVKOBKIOR-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

47
Patents

142.03784 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 125.2
[M+Na]+ 165.027058 134.6
[M-H]- 141.030564 127.3
[M+NH4]+ 160.071663 144.9
[M+K]+ 181.000998 134.7
[M+H-H2O]+ 125.035100 119.6
[M+HCOO]- 187.036041 148.2
[M+CH3COO]- 201.051691 172.0
[M+Na-2H]- 163.012506 130.2
[M]+ 142.03729142 125.4
[M]- 142.03838858 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe