CID 57559681

211571-68-5

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CN(C)C1=CN=CC(=C1C#N)Cl
InChI
InChI=1S/C8H8ClN3/c1-12(2)8-5-11-4-7(9)6(8)3-10/h4-5H,1-2H3
InChIKey
JZRYYEPFBZYQOV-UHFFFAOYSA-N
Compound name
3-chloro-5-(dimethylamino)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

181.04068 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04796 135.8
[M+Na]+ 204.02990 147.1
[M-H]- 180.03340 139.1
[M+NH4]+ 199.07450 153.9
[M+K]+ 220.00384 144.0
[M+H-H2O]+ 164.03794 123.3
[M+HCOO]- 226.03888 152.8
[M+CH3COO]- 240.05453 198.3
[M+Na-2H]- 202.01535 141.7
[M]+ 181.04013 133.5
[M]- 181.04123 133.5
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