CID 54593910

851075-63-3

Structural Information

Molecular Formula
C9H8N2O3
SMILES
COC(=O)C1=CC2=C(C=C1)N=C(O2)N
InChI
InChI=1S/C9H8N2O3/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11)
InChIKey
SBAXJJRFJSWBGJ-UHFFFAOYSA-N
Compound name
methyl 2-amino-1,3-benzoxazole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 136.5
[M+Na]+ 215.042718 147.3
[M-H]- 191.046224 141.1
[M+NH4]+ 210.087323 156.1
[M+K]+ 231.016658 146.4
[M+H-H2O]+ 175.050760 130.3
[M+HCOO]- 237.051701 161.2
[M+CH3COO]- 251.067351 183.1
[M+Na-2H]- 213.028166 143.9
[M]+ 192.05295142 140.5
[M]- 192.05404858 140.5
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