CID 82418015

3-(aminomethyl)-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O3
SMILES
C1=C(C(=NO1)CN)C(=O)O
InChI
InChI=1S/C5H6N2O3/c6-1-4-3(5(8)9)2-10-7-4/h2H,1,6H2,(H,8,9)
InChIKey
ITAKWZBKBCGIEX-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.03784 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 125.3
[M+Na]+ 165.027058 133.8
[M-H]- 141.030564 127.0
[M+NH4]+ 160.071663 144.7
[M+K]+ 181.000998 133.9
[M+H-H2O]+ 125.035100 119.3
[M+HCOO]- 187.036041 148.4
[M+CH3COO]- 201.051691 170.8
[M+Na-2H]- 163.012506 131.0
[M]+ 142.03729142 125.2
[M]- 142.03838858 125.2
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

No patent data available for this compound.