CID 71757680

Propan-2-yl 2-hydroxypyridine-4-carboxylate

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC(C)OC(=O)C1=CC(=O)NC=C1
InChI
InChI=1S/C9H11NO3/c1-6(2)13-9(12)7-3-4-10-8(11)5-7/h3-6H,1-2H3,(H,10,11)
InChIKey
ABUWUNCCHYQIFZ-UHFFFAOYSA-N
Compound name
propan-2-yl 2-oxo-1H-pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0739 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 136.0
[M+Na]+ 204.063118 144.0
[M-H]- 180.066624 137.3
[M+NH4]+ 199.107723 154.1
[M+K]+ 220.037058 142.4
[M+H-H2O]+ 164.071160 129.8
[M+HCOO]- 226.072101 156.9
[M+CH3COO]- 240.087751 177.9
[M+Na-2H]- 202.048566 140.7
[M]+ 181.07335142 136.6
[M]- 181.07444858 136.6
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.