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]+ 182.047956 135.8
[M+Na]+ 204.029898 147.1
[M-H]- 180.033404 139.1
[M+NH4]+ 199.074503 153.9
[M+K]+ 220.003838 144.0
[M+H-H2O]+ 164.037940 123.3
[M+HCOO]- 226.038881 152.8
[M+CH3COO]- 240.054531 198.3
[M+Na-2H]- 202.015346 141.7
[M]+ 181.04013142 133.5
[M]- 181.04122858 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