CID 57434476

4h,5h,6h,7h-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1CNCC2=C1ON=C2C(=O)O
InChI
InChI=1S/C7H8N2O3/c10-7(11)6-4-3-8-2-1-5(4)12-9-6/h8H,1-3H2,(H,10,11)
InChIKey
OUTKRVACNDWALM-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.0535 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 132.3
[M+Na]+ 191.042718 139.9
[M-H]- 167.046224 132.0
[M+NH4]+ 186.087323 150.0
[M+K]+ 207.016658 138.6
[M+H-H2O]+ 151.050760 126.1
[M+HCOO]- 213.051701 148.6
[M+CH3COO]- 227.067351 171.0
[M+Na-2H]- 189.028166 138.1
[M]+ 168.05295142 129.5
[M]- 168.05404858 129.5
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

patents stripe