CID 18354602

Benzo[d]oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H5NO3
SMILES
C1=CC(=C2C(=C1)OC=N2)C(=O)O
InChI
InChI=1S/C8H5NO3/c10-8(11)5-2-1-3-6-7(5)9-4-12-6/h1-4H,(H,10,11)
InChIKey
KRCCCWVXRVDONW-UHFFFAOYSA-N
Compound name
1,3-benzoxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

163.02695 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03423 128.3
[M+Na]+ 186.01617 141.6
[M+NH4]+ 181.06077 136.3
[M+K]+ 201.99011 138.7
[M-H]- 162.01967 130.2
[M+Na-2H]- 184.00162 134.2
[M]+ 163.02640 130.6
[M]- 163.02750 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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