CID 59842948

5-(methylamino)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C7H7N3
SMILES
CNC1=CN=CC(=C1)C#N
InChI
InChI=1S/C7H7N3/c1-9-7-2-6(3-8)4-10-5-7/h2,4-5,9H,1H3
InChIKey
CLSRDQRRVTZKKV-UHFFFAOYSA-N
Compound name
5-(methylamino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

133.064 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.071276 126.0
[M+Na]+ 156.053218 135.9
[M-H]- 132.056724 127.9
[M+NH4]+ 151.097823 144.2
[M+K]+ 172.027158 133.7
[M+H-H2O]+ 116.061260 112.9
[M+HCOO]- 178.062201 147.0
[M+CH3COO]- 192.077851 188.0
[M+Na-2H]- 154.038666 134.2
[M]+ 133.06345142 120.1
[M]- 133.06454858 120.1
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