CID 20114287

54864-85-6

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
CCCNC(=O)C1=CN=C(C=C1)Cl
InChI
InChI=1S/C9H11ClN2O/c1-2-5-11-9(13)7-3-4-8(10)12-6-7/h3-4,6H,2,5H2,1H3,(H,11,13)
InChIKey
CFWYGEMTTSEELO-UHFFFAOYSA-N
Compound name
6-chloro-N-propylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

198.05598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.063256 140.8
[M+Na]+ 221.045198 149.1
[M-H]- 197.048704 143.0
[M+NH4]+ 216.089803 159.5
[M+K]+ 237.019138 145.4
[M+H-H2O]+ 181.053240 134.7
[M+HCOO]- 243.054181 159.9
[M+CH3COO]- 257.069831 185.0
[M+Na-2H]- 219.030646 146.9
[M]+ 198.05543142 142.8
[M]- 198.05652858 142.8
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