CID 28752313

Akos017556643

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1CC1C2=NC3=C(O2)C=CC(=C3)C(=O)O
InChI
InChI=1S/C11H9NO3/c13-11(14)7-3-4-9-8(5-7)12-10(15-9)6-1-2-6/h3-6H,1-2H2,(H,13,14)
InChIKey
FZYNHUQXUSSIRM-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1,3-benzoxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 144.6
[M+Na]+ 226.04746 159.4
[M+NH4]+ 221.09206 153.3
[M+K]+ 242.02140 157.1
[M-H]- 202.05096 154.9
[M+Na-2H]- 224.03291 153.0
[M]+ 203.05769 150.7
[M]- 203.05879 150.7
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

No patent data available for this compound.