CID 84021015

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

Structural Information

Molecular Formula
C6H8N2O3
SMILES
C1=C(ON=C1C(=O)O)CCN
InChI
InChI=1S/C6H8N2O3/c7-2-1-4-3-5(6(9)10)8-11-4/h3H,1-2,7H2,(H,9,10)
InChIKey
DHHPIWBPVQXMNK-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.0535 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 130.7
[M+Na]+ 179.04272 139.8
[M+NH4]+ 174.08732 136.9
[M+K]+ 195.01666 138.8
[M-H]- 155.04622 131.2
[M+Na-2H]- 177.02817 133.8
[M]+ 156.05295 131.7
[M]- 156.05405 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.