CID 25141337

2-chloro-n-(6-cyanopyridin-3-yl)propanamide

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
CC(C(=O)NC1=CN=C(C=C1)C#N)Cl
InChI
InChI=1S/C9H8ClN3O/c1-6(10)9(14)13-8-3-2-7(4-11)12-5-8/h2-3,5-6H,1H3,(H,13,14)
InChIKey
VFOLQYOVUCHHET-UHFFFAOYSA-N
Compound name
2-chloro-N-(6-cyano-3-pyridinyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

209.03558 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.042856 145.0
[M+Na]+ 232.024798 154.7
[M-H]- 208.028304 146.6
[M+NH4]+ 227.069403 161.0
[M+K]+ 247.998738 150.9
[M+H-H2O]+ 192.032840 132.2
[M+HCOO]- 254.033781 159.8
[M+CH3COO]- 268.049431 198.8
[M+Na-2H]- 230.010246 149.2
[M]+ 209.03503142 140.9
[M]- 209.03612858 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

literature stripe

Patent stripe

patents stripe