CID 313859

3-benzyl-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC=C(C=C1)CC2=NOC(=C2)C(=O)O
InChI
InChI=1S/C11H9NO3/c13-11(14)10-7-9(12-15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChIKey
IPUHHWUHLJMZIB-UHFFFAOYSA-N
Compound name
3-benzyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

203.05824 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 142.2
[M+Na]+ 226.04746 155.0
[M+NH4]+ 221.09206 149.6
[M+K]+ 242.02140 151.7
[M-H]- 202.05096 145.5
[M+Na-2H]- 224.03291 149.1
[M]+ 203.05769 144.8
[M]- 203.05879 144.8
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