CID 68053844

Potassium 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC(C)(C1=CN=CC(=C1)C(=O)O)O
InChI
InChI=1S/C9H11NO3/c1-9(2,13)7-3-6(8(11)12)4-10-5-7/h3-5,13H,1-2H3,(H,11,12)
InChIKey
ZHMCIHCFHJXTTG-UHFFFAOYSA-N
Compound name
5-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

181.0739 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.6
[M+Na]+ 204.06312 145.4
[M-H]- 180.06662 137.6
[M+NH4]+ 199.10772 155.0
[M+K]+ 220.03706 143.5
[M+H-H2O]+ 164.07116 132.1
[M+HCOO]- 226.07210 156.1
[M+CH3COO]- 240.08775 176.3
[M+Na-2H]- 202.04857 143.7
[M]+ 181.07335 137.1
[M]- 181.07445 137.1
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.