CID 10850588

612511-84-9

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CCOC(=O)C1=NOC(=C1)CN
InChI
InChI=1S/C7H10N2O3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4,8H2,1H3
InChIKey
OJXTUWSIXVDNAL-UHFFFAOYSA-N
Compound name
ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

170.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 134.2
[M+Na]+ 193.058358 142.4
[M-H]- 169.061864 137.0
[M+NH4]+ 188.102963 153.3
[M+K]+ 209.032298 142.9
[M+H-H2O]+ 153.066400 127.7
[M+HCOO]- 215.067341 158.2
[M+CH3COO]- 229.082991 178.7
[M+Na-2H]- 191.043806 139.4
[M]+ 170.06859142 136.6
[M]- 170.06968858 136.6
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