CID 12026212

2-chloro-n-isopropylisonicotinamide

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
CC(C)NC(=O)C1=CC(=NC=C1)Cl
InChI
InChI=1S/C9H11ClN2O/c1-6(2)12-9(13)7-3-4-11-8(10)5-7/h3-6H,1-2H3,(H,12,13)
InChIKey
QZSSGGZMSWRLKH-UHFFFAOYSA-N
Compound name
2-chloro-N-propan-2-ylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.05598 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 140.7
[M+Na]+ 221.04520 148.8
[M-H]- 197.04870 143.1
[M+NH4]+ 216.08980 159.3
[M+K]+ 237.01914 145.6
[M+H-H2O]+ 181.05324 134.8
[M+HCOO]- 243.05418 158.9
[M+CH3COO]- 257.06983 185.9
[M+Na-2H]- 219.03065 145.7
[M]+ 198.05543 142.1
[M]- 198.05653 142.1
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

patents stripe