CID 90456858

2-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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 137.9
[M+Na]+ 204.06312 148.9
[M+NH4]+ 199.10772 144.3
[M+K]+ 220.03706 145.5
[M-H]- 180.06662 136.9
[M+Na-2H]- 202.04857 142.9
[M]+ 181.07335 139.0
[M]- 181.07445 139.0
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