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 134.8
[M+Na]+ 216.02672 146.0
[M-H]- 192.03022 138.7
[M+NH4]+ 211.07132 154.3
[M+K]+ 232.00066 145.3
[M+H-H2O]+ 176.03476 129.2
[M+HCOO]- 238.03570 157.9
[M+CH3COO]- 252.05135 178.4
[M+Na-2H]- 214.01217 142.5
[M]+ 193.03695 140.2
[M]- 193.03805 140.2
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