CID 45382143

2-(2-aminopyridin-4-yl)acetonitrile

Structural Information

Molecular Formula
C7H7N3
SMILES
C1=CN=C(C=C1CC#N)N
InChI
InChI=1S/C7H7N3/c8-3-1-6-2-4-10-7(9)5-6/h2,4-5H,1H2,(H2,9,10)
InChIKey
WSFXXEKYYWBKOM-UHFFFAOYSA-N
Compound name
2-(2-aminopyridin-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

133.064 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07128 126.8
[M+Na]+ 156.05322 136.7
[M-H]- 132.05672 128.3
[M+NH4]+ 151.09782 144.7
[M+K]+ 172.02716 134.2
[M+H-H2O]+ 116.06126 113.7
[M+HCOO]- 178.06220 147.2
[M+CH3COO]- 192.07785 187.4
[M+Na-2H]- 154.03867 134.0
[M]+ 133.06345 120.0
[M]- 133.06455 120.0
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