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]+ 169.06078 132.3
[M+Na]+ 191.04272 139.9
[M-H]- 167.04622 132.0
[M+NH4]+ 186.08732 150.0
[M+K]+ 207.01666 138.6
[M+H-H2O]+ 151.05076 126.1
[M+HCOO]- 213.05170 148.6
[M+CH3COO]- 227.06735 171.0
[M+Na-2H]- 189.02817 138.1
[M]+ 168.05295 129.5
[M]- 168.05405 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