CID 54593910

Methyl 2-amino-1,3-benzoxazole-6-carboxylate

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]+ 193.06078 136.5
[M+Na]+ 215.04272 147.3
[M-H]- 191.04622 141.1
[M+NH4]+ 210.08732 156.1
[M+K]+ 231.01666 146.4
[M+H-H2O]+ 175.05076 130.3
[M+HCOO]- 237.05170 161.2
[M+CH3COO]- 251.06735 183.1
[M+Na-2H]- 213.02817 143.9
[M]+ 192.05295 140.5
[M]- 192.05405 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