CID 20098809

5-(aminomethyl)-1,2-oxazole-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H6N2O3
SMILES
C1=C(ON=C1C(=O)O)CN
InChI
InChI=1S/C5H6N2O3/c6-2-3-1-4(5(8)9)7-10-3/h1H,2,6H2,(H,8,9)
InChIKey
NEJZQMATDSGQEP-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

142.03784 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04512 126.2
[M+Na]+ 165.02706 135.6
[M+NH4]+ 160.07166 132.6
[M+K]+ 181.00100 134.8
[M-H]- 141.03056 126.8
[M+Na-2H]- 163.01251 129.6
[M]+ 142.03729 127.2
[M]- 142.03839 127.2
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