CID 137943651

2287287-95-8

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1C(CN1)C2=NOC(=C2)C(=O)O
InChI
InChI=1S/C7H8N2O3/c10-7(11)6-1-5(9-12-6)4-2-8-3-4/h1,4,8H,2-3H2,(H,10,11)
InChIKey
DREOKDJWILQADL-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0535 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 129.5
[M+Na]+ 191.042718 135.4
[M-H]- 167.046224 131.6
[M+NH4]+ 186.087323 139.6
[M+K]+ 207.016658 137.7
[M+H-H2O]+ 151.050760 117.7
[M+HCOO]- 213.051701 146.9
[M+CH3COO]- 227.067351 174.7
[M+Na-2H]- 189.028166 133.8
[M]+ 168.05295142 136.3
[M]- 168.05404858 136.3
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.