CID 67658492

Methyl 6-hydroxy-1,3-benzoxazole-7-carboxylate

Structural Information

Molecular Formula
C9H7NO4
SMILES
COC(=O)C1=C(C=CC2=C1OC=N2)O
InChI
InChI=1S/C9H7NO4/c1-13-9(12)7-6(11)3-2-5-8(7)14-4-10-5/h2-4,11H,1H3
InChIKey
MQCNSLUZBIIJIR-UHFFFAOYSA-N
Compound name
methyl 6-hydroxy-1,3-benzoxazole-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.0375 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 136.0
[M+Na]+ 216.02672 149.0
[M+NH4]+ 211.07132 143.3
[M+K]+ 232.00066 146.6
[M-H]- 192.03022 137.4
[M+Na-2H]- 214.01217 140.9
[M]+ 193.03695 138.1
[M]- 193.03805 138.1
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