CID 28752313

2-cyclopropyl-1,3-benzoxazole-5-carboxylic acid

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]+ 204.065516 140.8
[M+Na]+ 226.047458 153.0
[M-H]- 202.050964 148.1
[M+NH4]+ 221.092063 154.8
[M+K]+ 242.021398 149.7
[M+H-H2O]+ 186.055500 134.5
[M+HCOO]- 248.056441 162.9
[M+CH3COO]- 262.072091 154.7
[M+Na-2H]- 224.032906 147.4
[M]+ 203.05769142 146.4
[M]- 203.05878858 146.4
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.