CID 64261266

1341703-21-6

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1C(CN1C2=NC3=CC=CC=C3O2)C(=O)O
InChI
InChI=1S/C11H10N2O3/c14-10(15)7-5-13(6-7)11-12-8-3-1-2-4-9(8)16-11/h1-4,7H,5-6H2,(H,14,15)
InChIKey
SIMHFEHCCNJXEZ-UHFFFAOYSA-N
Compound name
1-(1,3-benzoxazol-2-yl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 139.7
[M+Na]+ 241.058358 147.9
[M-H]- 217.061864 144.6
[M+NH4]+ 236.102963 149.9
[M+K]+ 257.032298 149.3
[M+H-H2O]+ 201.066400 127.5
[M+HCOO]- 263.067341 158.7
[M+CH3COO]- 277.082991 187.4
[M+Na-2H]- 239.043806 145.6
[M]+ 218.06859142 150.5
[M]- 218.06968858 150.5
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.