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]+ 169.06078 129.5
[M+Na]+ 191.04272 135.4
[M-H]- 167.04622 131.6
[M+NH4]+ 186.08732 139.6
[M+K]+ 207.01666 137.7
[M+H-H2O]+ 151.05076 117.7
[M+HCOO]- 213.05170 146.9
[M+CH3COO]- 227.06735 174.7
[M+Na-2H]- 189.02817 133.8
[M]+ 168.05295 136.3
[M]- 168.05405 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.