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]+ 182.08118 136.0
[M+Na]+ 204.06312 144.0
[M-H]- 180.06662 137.3
[M+NH4]+ 199.10772 154.1
[M+K]+ 220.03706 142.4
[M+H-H2O]+ 164.07116 129.8
[M+HCOO]- 226.07210 156.9
[M+CH3COO]- 240.08775 177.9
[M+Na-2H]- 202.04857 140.7
[M]+ 181.07335 136.6
[M]- 181.07445 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.