CID 82595764

1334494-67-5

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CC(C1=NOC=C1C(=O)O)N
InChI
InChI=1S/C6H8N2O3/c1-3(7)5-4(6(9)10)2-11-8-5/h2-3H,7H2,1H3,(H,9,10)
InChIKey
YZZKJHBZSNMNPF-UHFFFAOYSA-N
Compound name
3-(1-aminoethyl)-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.0535 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 130.7
[M+Na]+ 179.042718 138.5
[M-H]- 155.046224 132.4
[M+NH4]+ 174.087323 149.4
[M+K]+ 195.016658 138.8
[M+H-H2O]+ 139.050760 124.6
[M+HCOO]- 201.051701 152.4
[M+CH3COO]- 215.067351 174.8
[M+Na-2H]- 177.028166 134.6
[M]+ 156.05295142 130.3
[M]- 156.05404858 130.3
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.