CID 14793957

2-(4-aminopyrimidin-2-yl)acetonitrile

Structural Information

Molecular Formula
C6H6N4
SMILES
C1=CN=C(N=C1N)CC#N
InChI
InChI=1S/C6H6N4/c7-3-1-6-9-4-2-5(8)10-6/h2,4H,1H2,(H2,8,9,10)
InChIKey
HBBPTRWXOGZXHC-UHFFFAOYSA-N
Compound name
2-(4-aminopyrimidin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.05925 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06653 129.8
[M+Na]+ 157.04847 141.7
[M+NH4]+ 152.09307 134.2
[M+K]+ 173.02241 132.8
[M-H]- 133.05197 124.0
[M+Na-2H]- 155.03392 134.2
[M]+ 134.05870 128.8
[M]- 134.05980 128.8
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

No patent data available for this compound.