CID 24708361

915921-01-6

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
C=CCNC(=O)C1=CN=C(C=C1)Cl
InChI
InChI=1S/C9H9ClN2O/c1-2-5-11-9(13)7-3-4-8(10)12-6-7/h2-4,6H,1,5H2,(H,11,13)
InChIKey
DQCBAARVIMURGR-UHFFFAOYSA-N
Compound name
6-chloro-N-prop-2-enylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04034 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.047616 139.6
[M+Na]+ 219.029558 148.3
[M-H]- 195.033064 141.9
[M+NH4]+ 214.074163 158.3
[M+K]+ 235.003498 144.0
[M+H-H2O]+ 179.037600 133.7
[M+HCOO]- 241.038541 159.0
[M+CH3COO]- 255.054191 184.1
[M+Na-2H]- 217.015006 145.8
[M]+ 196.03979142 140.9
[M]- 196.04088858 140.9
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.