CID 79248971

Refchem:521799

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
CC(C)C(CO)NC(=O)C1=NC=CC(=C1)Cl
InChI
InChI=1S/C11H15ClN2O2/c1-7(2)10(6-15)14-11(16)9-5-8(12)3-4-13-9/h3-5,7,10,15H,6H2,1-2H3,(H,14,16)
InChIKey
NQAKZNYRARNAEV-UHFFFAOYSA-N
Compound name
4-chloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0822 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08948 152.9
[M+Na]+ 265.07142 159.4
[M-H]- 241.07492 153.7
[M+NH4]+ 260.11602 168.9
[M+K]+ 281.04536 155.9
[M+H-H2O]+ 225.07946 146.9
[M+HCOO]- 287.08040 168.2
[M+CH3COO]- 301.09605 192.4
[M+Na-2H]- 263.05687 155.2
[M]+ 242.08165 154.1
[M]- 242.08275 154.1
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.