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]+ 219.07642 139.7
[M+Na]+ 241.05836 147.9
[M-H]- 217.06186 144.6
[M+NH4]+ 236.10296 149.9
[M+K]+ 257.03230 149.3
[M+H-H2O]+ 201.06640 127.5
[M+HCOO]- 263.06734 158.7
[M+CH3COO]- 277.08299 187.4
[M+Na-2H]- 239.04381 145.6
[M]+ 218.06859 150.5
[M]- 218.06969 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.