CID 59594491

1256806-82-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

133.064 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07128 126.0
[M+Na]+ 156.05322 135.9
[M-H]- 132.05672 127.9
[M+NH4]+ 151.09782 144.2
[M+K]+ 172.02716 133.7
[M+H-H2O]+ 116.06126 112.9
[M+HCOO]- 178.06220 147.0
[M+CH3COO]- 192.07785 188.0
[M+Na-2H]- 154.03867 134.2
[M]+ 133.06345 120.1
[M]- 133.06455 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